Title Section

This section contains records used to describe the experiment and the biological macromolecules present in the entry: HEADER, OBSLTE, TITLE, SPLIT, CAVEAT, COMPND, SOURCE, KEYWDS, EXPDTA, AUTHOR, REVDAT, SPRSDE, JRNL, and REMARK records.


HEADER

Overview

The HEADER record uniquely identifies a PDB entry through the idCode field. This record also provides a classification for the entry. Finally, it contains the date when the coordinates were deposited to the PDB archive.

Record Format

COLUMNS       DATA  TYPE     FIELD             DEFINITION
------------------------------------------------------------------------------------
 1 -  6       Record name    "HEADER"
11 - 50       String(40)     classification    Classifies the molecule(s).
51 - 59       Date           depDate           Deposition date. This is the date the
                                               coordinates  were received at the PDB.
63 - 66       IDcode         idCode            This identifier is unique within the PDB.

Details

Verification/Validation/Value Authority Control

The verification program checks that the deposition date is a legitimate date and that the ID code is well-formed.

PDB coordinate entry ID codes do not begin with 0. “No coordinates”, or NOC files, given as 0xxx codes, contained no structural information and were bibliographic only. These entries were subsequently removed from PDB archive.

Relationships to Other Record Types

The classification found in HEADER also appears in KEYWDS, unabbreviated and in no strict order.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
HEADER    PHOTOSYNTHESIS                          28-MAR-07   2UXK              
HEADER    TRANSFERASE/TRANSFERASE INHIBITOR       17-SEP-04   1XH6              
HEADER    MEMBRANE PROTEIN, TRANSPORT PROTEIN     20-JUL-06   2HRT              


OBSLTE

Overview

OBSLTE appears in entries that have been removed from public distribution.

This record acts as a flag in an entry that has been removed (“obsoleted”) from the PDB's full release. It indicates which, if any, new entries have replaced the entry that was obsoleted. The format allows for the case of multiple new entries replacing one existing entry.

Record Format

COLUMNS       DATA  TYPE     FIELD         DEFINITION
---------------------------------------------------------------------------------------
 1 -  6       Record name   "OBSLTE"
 9 - 10       Continuation  continuation  Allows concatenation of multiple records
12 - 20       Date          repDate       Date that this entry was replaced.
22 - 25       IDcode        idCode        ID code of this entry.
32 - 35       IDcode        rIdCode       ID code of entry that replaced this one.
37 - 40       IDcode        rIdCode       ID code of entry that replaced this one.
42 - 45       IDcode        rIdCode       ID code of entry  that replaced this one.
47 - 50       IDcode        rIdCode       ID code of entry that replaced this one.
52 - 55       IDcode        rIdCode       ID code of entry that replaced this one.
57 - 60       IDcode        rIdCode       ID code of entry that replaced this one.
62 - 65       IDcode        rIdCode       ID code of entry that replaced this one.
67 - 70       IDcode        rIdCode       ID code of entry that replaced this one.
72 - 75       IDcode        rIdCode       ID code of entry that replaced this one.

Details

Verification/Validation/Value Authority Control

wwPDB staff adds this record at the time an entry is removed from release.

Relationships to Other Record Types

None.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
OBSLTE     31-JAN-94 1MBP      2MBP


TITLE

Overview

The TITLE record contains a title for the experiment or analysis that is represented in the entry.
It should identify an entry in the same way that a citation title identifies a publication.

Record Format

COLUMNS       DATA  TYPE     FIELD         DEFINITION
----------------------------------------------------------------------------------
 1 -  6       Record name    "TITLE "
 9 - 10       Continuation   continuation  Allows concatenation of multiple records.
11 - 80       String         title         Title of the  experiment.

Details

Verification/Validation/Value Authority Control

This record is free text so no verification of format is required. The title is supplied by the depositor, but staff may exercise editorial judgment in consultation with depositors in
assigning the title.

Relationships to Other Record Types

COMPND, SOURCE, EXPDTA, and REMARKs provide information that may also be found in TITLE. You may think of the title as describing the experiment, and the compound record as describing the molecule(s).

Examples

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
TITLE     RHIZOPUSPEPSIN COMPLEXED WITH REDUCED PEPTIDE INHIBITOR
TITLE     STRUCTURE OF THE TRANSFORMED MONOCLINIC  LYSOZYME BY                   
TITLE    2 CONTROLLED DEHYDRATION    
TITLE     NMR STUDY  OF OXIDIZED THIOREDOXIN MUTANT (C62A,C69A,C73A)
TITLE    2 MINIMIZED  AVERAGE STRUCTURE


SPLIT

Overview

The SPLIT record is used in instances where a specific entry composes part of a large macromolecular complex. It will identify the PDB entries that are required to reconstitute a complete complex.

Record Format

COLUMNS        DATA TYPE     FIELD         DEFINITION
----------------------------------------------------------------------------------
 1 -  6        Record  name  "SPLIT "
 9 - 10        Continuation  continuation  Allows concatenation of multiple records.
12 - 15        IDcode        idCode        ID code of related entry.
17 - 20        IDcode        idCode        ID code of related entry.
22 - 25        IDcode        idCode        ID code of related entry.
27 – 30        IDcode        idCode        ID code of related entry.
32 - 35        IDcode        idCode        ID code of related entry.
37 - 40        IDcode        idCode        ID code of related entry.
42 - 45        IDcode        idCode        ID code of related entry.
47 - 50        IDcode        idCode        ID code of related entry.
52 - 55        IDcode        idCode        ID code of related entry.
57 - 60        IDcode        idCode        ID code of related entry.
62 - 65        IDcode        idCode        ID code of related entry.
67 - 70        IDcode        idCode        ID code of related entry.
72 - 75        IDcode        idCode        ID code of related entry.
77 - 80        IDcode        idCode        ID code of related entry.

Details

Verification/Validation/Value Authority Control
This record will be generated at the time of processing the component PDB files of the large macromolecular complex when all complex constituents are deposited.

Relationships to Other Record Types

REMARK 350 will contain an amended statement to reflect the entire complex.

Examples

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
SPLIT      1VOQ 1VOR 1VOS 1VOU 1VOV 1VOW 1VOX 1VOY 1VP0 1VOZ  


CAVEAT

Overview

CAVEAT warns of errors and unresolved issues in the entry. Use caution when using an entry containing this record.

Record Format

COLUMNS       DATA  TYPE    FIELD          DEFINITION
---------------------------------------------------------------------------------------
  1 - 6       Record name   "CAVEAT"
 9 - 10       Continuation  continuation   Allows concatenation of multiple records.
12 - 15       IDcode        idCode         PDB ID code of this entry.
20 - 79       String        comment        Free text giving the reason for the  CAVEAT.

Details

Verification/Validation/Value Authority Control

CAVEAT will be added to entries known to be incorrect.


COMPND

Overview

The COMPND record describes the macromolecular contents of an entry. Some cases where the entry contains a standalone drug or inhibitor, the name of the non-polymeric molecule will appear in this record. Each macromolecule found in the entry is described by a set of token: value pairs, and is referred to as a COMPND record component. Since the concept of a molecule is difficult to specify exactly, staff may exercise editorial judgment in consultation with depositors in assigning these names.

Record Format

COLUMNS       DATA TYPE       FIELD         DEFINITION 
----------------------------------------------------------------------------------
 1 -  6       Record name     "COMPND"   
 8 - 10       Continuation    continuation  Allows concatenation of multiple records.
11 - 80       Specification   compound      Description of the molecular components.
              list   

Details

TOKEN                  VALUE DEFINITION
-------------------------------------------------------------------------
MOL_ID                 Numbers each component; also used in  SOURCE to associate
                       the information.
MOLECULE               Name of the macromolecule.
CHAIN                  Comma-separated list of chain  identifier(s). 
FRAGMENT               Specifies a domain or region of the  molecule.
SYNONYM                Comma-separated list of synonyms for  the MOLECULE.
EC                     The Enzyme Commission number associated  with the molecule.
                       If there is more than one EC number,  they are presented
                       as a comma-separated list.
ENGINEERED             Indicates that the molecule was  produced using 
                       recombinant technology or by purely  chemical synthesis.
MUTATION               Indicates if there is a mutation.
OTHER_DETAILS          Additional comments.

Verification/Validation/Value Authority Control

CHAIN must match the chain identifiers(s) of the molecule(s). EC numbers are also checked.

Relationships to Other Record Types

In the case of mutations, the SEQADV records will present differences from the reference molecule. REMARK records may further describe the contents of the entry. Also see verification above.

Examples

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
COMPND    MOL_ID:  1;                                                            
COMPND   2 MOLECULE:  HEMOGLOBIN ALPHA CHAIN;                                    
COMPND   3 CHAIN: A,  C;                                                         
COMPND   4 SYNONYM:  DEOXYHEMOGLOBIN ALPHA CHAIN;                                
COMPND   5 ENGINEERED: YES;                                                     
COMPND   6 MUTATION:  YES;                                                       
COMPND   7 MOL_ID:  2;                                                           
COMPND   8 MOLECULE:  HEMOGLOBIN BETA CHAIN;                                     
COMPND   9 CHAIN: B,  D;                                                         
COMPND  10 SYNONYM:  DEOXYHEMOGLOBIN BETA CHAIN;                                 
COMPND  11 ENGINEERED: YES;                                                     
COMPND  12 MUTATION:  YES   
       
COMPND    MOL_ID: 1;                                                            
COMPND   2 MOLECULE:  COWPEA CHLOROTIC MOTTLE VIRUS;                             
COMPND   3 CHAIN: A,  B, C;                                                      
COMPND   4 SYNONYM:  CCMV;                                                       
COMPND   5 MOL_ID:  2;                                                           
COMPND   6 MOLECULE:  RNA (5'-(*AP*UP*AP*U)-3');                                 
COMPND   7 CHAIN: D,  F;                                                         
COMPND   8 ENGINEERED: YES;                                                     
COMPND   9 MOL_ID:  3;                                                           
COMPND  10 MOLECULE:  RNA (5'-(*AP*U)-3');                                       
COMPND  11 CHAIN: E;                                                            
COMPND  12 ENGINEERED: YES     
                                                 
COMPND    MOL_ID:  1;                                                             
COMPND   2 MOLECULE:  HEVAMINE A;                                                 
COMPND   3 CHAIN:  A;                                                            
COMPND   4 EC:  3.2.1.14, 3.2.1.17;                                               
COMPND   5 OTHER_DETAILS: PLANT ENDOCHITINASE/LYSOZYME                           


SOURCE

Overview

The SOURCE record specifies the biological and/or chemical source of each biological molecule in the entry. Some cases where the entry contains a standalone drug or inhibitor, the source information of this molecule will appear in this record. Sources are described by both the common name and the scientific name, e.g., genus and species. Strain and/or cell-line for immortalized cells are given when they help to uniquely identify the biological entity studied.

Record Format

COLUMNS      DATA  TYPE     FIELD          DEFINITION                        
--------------------------------------------------------------------------------------
 1 -  6      Record name    "SOURCE"       
 8 - 10      Continuation   continuation   Allows concatenation of multiple records.
11 - 79      Specification  srcName        Identifies the source of the
             List                          macromolecule in a  token: value format.

Details

TOKEN                                VALUE  DEFINITION                        
--------------------------------------------------------------------------------------
MOL_ID                               Numbers each  molecule. Same as appears in COMPND.
SYNTHETIC                            Indicates a  chemically-synthesized source.  
FRAGMENT                             A domain or  fragment of the molecule may be 
                                     specified.                                  
ORGANISM_SCIENTIFIC                  Scientific name of the  organism.            
ORGANISM_COMMON                      Common name of the  organism. 
ORGANISM_TAXID                       NCBI Taxonomy ID number  of the organism.    
STRAIN                               Identifies the  strain.                      
VARIANT                              Identifies the  variant.                     
CELL_LINE                            The specific line of  cells used in the experiment.
ATCC                                 American Type  Culture Collection tissue     
                                     culture  number.                             
ORGAN                                Organized group of  tissues that carries on  
                                     a specialized function.                     
TISSUE                               Organized group  of cells with a common     
                                     function and  structure.                     
CELL                                 Identifies the  particular cell type.        
ORGANELLE                            Organized structure  within a cell.          
SECRETION                            Identifies the secretion, such as  saliva, urine,
                                     or venom,  from which the molecule was isolated.
CELLULAR_LOCATION                    Identifies the location  inside/outside the cell.
PLASMID                              Identifies the plasmid  containing the gene. 
GENE                                 Identifies the  gene.                        
EXPRESSION_SYSTEM                    Scientific name of the organism in  which the
                                     molecule was expressed.
EXPRESSION_SYSTEM_COMMON             Common name of the organism in  which the molecule
                                     was  expressed.
EXPRESSION_SYSTEM_TAXID              NCBI Taxonomy ID of the organism  used as the
                                     expression  system.
EXPRESSION_SYSTEM_STRAIN             Strain of the organism in which  the molecule
                                     was  expressed.                              
EXPRESSION_SYSTEM_VARIANT            Variant of the organism used as the 
                                     expression  system.
EXPRESSION_SYSTEM_CELL_LINE          The specific line of cells used as  the 
                                     expression  system.
EXPRESSION_SYSTEM_ATCC_NUMBER        Identifies the ATCC number of the  expression system.
EXPRESSION_SYSTEM_ORGAN              Specific organ which expressed  the molecule.
EXPRESSION_SYSTEM_TISSUE             Specific tissue which expressed  the molecule.
EXPRESSION_SYSTEM_CELL               Specific cell type which  expressed the molecule.
EXPRESSION_SYSTEM_ORGANELLE          Specific organelle which expressed  the molecule.
EXPRESSION_SYSTEM_CELLULAR_LOCATION  Identifies the location inside or outside 
                                     the cell  which expressed the molecule.
EXPRESSION_SYSTEM_VECTOR_TYPE        Identifies the type of vector used,  i.e., 
                                     plasmid,  virus, or cosmid.
EXPRESSION_SYSTEM_VECTOR             Identifies the vector used.
EXPRESSION_SYSTEM_PLASMID            Plasmid used in the recombinant experiment. 
EXPRESSION_SYSTEM_GENE               Name of the gene used in  recombinant experiment.
OTHER_DETAILS                        Used to present  information on the source which 
                                     is not  given elsewhere.              

Verification/Validation/Value Authority Control

The biological source is compared to that found in the sequence databases. The Tax ID is identified and the corresponding scientific and common names for the organism is matched to a standard taxonomy database (such as NCBI).

Relationships to Other Record Types

Each macromolecule listed in COMPND must have a corresponding source.

Examples

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: AVIAN SARCOMA VIRUS;
SOURCE   3 ORGANISM_TAXID: 11876
SOURCE   4 STRAIN:  SCHMIDT-RUPPIN B;
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI                                                                                                                                                  
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 562
SOURCE   7 EXPRESSION_SYSTEM_PLASMID: PRC23IN

SOURCE    MOL_ID: 1;
SOURCE   2 ORGANISM_SCIENTIFIC: GALLUS GALLUS;
SOURCE   3 ORGANISM_COMMON: CHICKEN;
SOURCE   3 ORGANISM_TAXID: 9031
SOURCE   4 ORGAN: HEART;
SOURCE   5 TISSUE: MUSCLE

For a Chimera protein:

SOURCE    MOL_ID: 1;                                                            
SOURCE   2 ORGANISM_SCIENTIFIC: MUS MUSCULUS, HOMO  SAPIENS;                     
SOURCE   3 ORGANISM_COMMON: MOUSE, HUMAN;          
SOURCE   3 ORGANISM_TAXID: 10090, 9606                         
SOURCE   5 EXPRESSION_SYSTEM: ESCHERICHIA COLI;   
SOURCE   6 EXPRESSION_SYSTEM_TAXID: 344601                              
SOURCE   6 EXPRESSION_SYSTEM_STRAIN: B171;                                     
SOURCE   7 EXPRESSION_SYSTEM_VECTOR_TYPE:  PLASMID;                              
SOURCE   8 EXPRESSION_SYSTEM_PLASMID: P4XH-M13;     


KEYWDS

Overview

The KEYWDS record contains a set of terms relevant to the entry. Terms in the KEYWDS record provide a simple means of categorizing entries and may be used to generate index files. This record addresses some of the limitations found in the classification field of the HEADER record. It provides the opportunity to add further annotation to the entry in a concise and computer-searchable fashion.

Record Format

COLUMNS       DATA  TYPE     FIELD         DEFINITION  
---------------------------------------------------------------------------------
 1 -  6       Record name    "KEYWDS"  
 9 - 10       Continuation   continuation  Allows concatenation of records if necessary.
11 - 79       List           keywds        Comma-separated list of keywords relevant
                                           to the entry.       

Details

Verification/Validation/Value Authority Control

Terms used in the KEYWDS record are subject to scientific and editorial review. A list of terms, definitions, and synonyms will be maintained by the wwPDB.  Every attempt will be made to provide some level of consistency with keywords used in other biological databases.

Relationships to Other Record Types

HEADER records contain a classification term which must also appear in KEYWDS. Scientific judgment will dictate when terms used in one entry to describe a molecule should be included in other entries with the same or similar molecules.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
KEYWDS    LYASE,  TRICARBOXYLIC ACID CYCLE, MITOCHONDRION, OXIDATIVE
KEYWDS   2 METABOLISM


EXPDTA

Overview

The EXPDTA record presents information about the experiment.

The EXPDTA record identifies the experimental technique used. This may refer to the type of radiation and sample, or include the spectroscopic or modeling technique. Permitted values include:

    X-RAY  DIFFRACTION
    FIBER  DIFFRACTION
    NEUTRON  DIFFRACTION
    ELECTRON  CRYSTALLOGRAPHY
    ELECTRON  MICROSCOPY
    SOLID-STATE  NMR 
    SOLUTION  NMR 
    SOLUTION  SCATTERING         

*Note:Since October 15, 2006, theoretical models are no longer accepted for deposition.  Any theoretical models deposited prior to this date are archived at ftp://ftp.wwpdb.org/pub/pdb/data/structures/models
Please see the documentation from previous versions for the related file format description.

Record Format

COLUMNS       DATA TYPE      FIELD         DEFINITION    
------------------------------------------------------------------------------------
 1 -  6       Record name    "EXPDTA"   
 9 - 10       Continuation   continuation  Allows concatenation of multiple records.
11 - 79       SList          technique     The experimental technique(s) with  
                                           optional comment describing the 
                                           sample or experiment. 

Details

Verification/Validation/Value Authority Control

The verification program checks that the EXPDTA record appears in the entry and that the technique matches one of the allowed values. It also checks that the relevant standard REMARK is added, as in the cases of NMR or electron microscopy studies, that the appropriate CRYST1 and SCALE values are used.

Relationships to Other Record Types

If the experiment is an NMR or electron microscopy study, this may be stated in the TITLE, and the appropriate EXPDTA and REMARK records should appear. Specific details of the data collection and experiment appear in the REMARKs.

In the case of a polycrystalline fiber diffraction study, CRYST1 and SCALE contain the normal unit cell data.

Examples

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
EXPDTA    X-RAY DIFFRACTION
EXPDTA    NEUTRON DIFFRACTION; X-RAY DIFFRACTION
EXPDTA    SOLUTION NMR
EXPDTA    ELECTRON MICROSCOPY


NUMMDL

Overview

The NUMMDL record indicates total number of models in a PDB entry.

Record Format

COLUMNS      DATA TYPE      FIELD         DEFINITION                           
------------------------------------------------------------------------------------
 1 -  6      Record name    "NUMMDL"                                             
11 - 14      Integer        modelNumber   Number of models.   

Details

Verification/Validation/Value Authority Control

The verification program checks that the modelNumber field is correctly formatted.

Example

         1         2         3         4         5          6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
NUMMDL    20 


MDLTYP

Overview

The MDLTYP record contains additional annotation pertinent to the coordinates presented in the entry.

Record Format

COLUMNS      DATA TYPE      FIELD         DEFINITION                           
------------------------------------------------------------------------------------
 1 -  6      Record name    "MDLTYP"                                             
 9 - 10      Continuation   continuation  Allows concatenation of multiple records.
11 - 80      SList          comment       Free Text providing  additional structural 
                                          annotation.    

Details

Verification/Validation/Value Authority Control

The chain_identifiers described in this record must be present in the COMPND, SEQRES and the coordinate section of the entry.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
MDLTYP    MINIMIZED AVERAGE 

MDLTYP    CA ATOMS ONLY, CHAIN A, B, C, D, E, F, G, H, I, J, K ; P ATOMS ONLY, 
MDLTYP   2 CHAIN X, Y, Z 

MDLTYP    MINIMIZED AVERAGE ; CA ATOMS ONLY, CHAIN A, B 


AUTHOR

Overview

The AUTHOR record contains the names of the people responsible for the contents of the entry.

Record Format

COLUMNS      DATA  TYPE      FIELD         DEFINITION                           
------------------------------------------------------------------------------------
 1 -  6      Record name     "AUTHOR"                                             
 9 - 10      Continuation    continuation  Allows concatenation of multiple records.
11 - 79      List            authorList    List of the author names, separated    
                                           by commas.

Details

Verification/Validation/Value Authority Control

The verification program checks that the authorList field is correctly formatted. It does not perform any spelling checks or name verification.

Relationships to Other Record Types

The format of the names in the AUTHOR record is the same as in JRNL and REMARK 1 references.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
AUTHOR    M.B.BERRY,B.MEADOR,T.BILDERBACK,P.LIANG,M.GLASER,
AUTHOR   2 G.N.PHILLIPS JR.,T.L.ST. STEVENS


REVDAT

Overview

REVDAT records contain a history of the modifications made to an entry since its release.

Record Format

COLUMNS       DATA  TYPE     FIELD         DEFINITION                             
-------------------------------------------------------------------------------------
 1 -  6       Record name    "REVDAT"                                             
 8 - 10       Integer        modNum        Modification number.                   
11 - 12       Continuation   continuation  Allows concatenation of multiple records.
14 - 22       Date           modDate       Date of modification (or release  for   
                                           new entries)  in DD-MMM-YY format. This is
                                           not repeated on continued lines.
24 - 27       IDCode         modId         ID code of this entry. This is not repeated on 
                                           continuation lines.    
32            Integer        modType       An integer identifying the type of    
                                           modification. For all  revisions, the
                                           modification type is listed as 1 
40 - 45       LString(6)     record        Modification detail. 
47 - 52       LString(6)     record        Modification detail. 
54 - 59       LString(6)     record        Modification detail. 
61 - 66       LString(6)     record        Modification detail.

Details

Verification/Validation/Value Authority Control

The modType must be one of the defined types, and the given record type must be valid. If modType is 0, the modId must match the entry's ID code in the HEADER record.

Relationships to Other Record Types

In the case of a version revision, the current will be specified in REMARK 4.

Template

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
REVDAT   2   15-OCT-99 1ABC    1       REMARK
REVDAT   1   09-JAN-89 1ABC    0
         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
REVDAT   2   11-MAR-08 2ABC    1       JRNL   VERSN
REVDAT   1   09-DEC-03 2ABC    0


SPRSDE

Overview

The SPRSDE records contain a list of the ID codes of entries that were made obsolete by the given coordinate entry and removed from the PDB release set. One entry may replace many.

It is wwPDB policy that only the principal investigator of a structure has the authority to obsolete it.
Record Format

COLUMNS        DATA TYPE     FIELD         DEFINITION                           
-----------------------------------------------------------------------------------
 1 -  6        Record name   "SPRSDE"                                             
 9 - 10        Continuation  continuation  Allows for multiple ID codes.          
12 - 20        Date          sprsdeDate    Date this entry superseded the listed  
                                           entries. This field is not copied on   
                                           continuations.               
22 - 25        IDcode        idCode        ID code of this entry. This field is  not
                                           copied on continuations.        
32 - 35        IDcode        sIdCode       ID code of a superseded entry.         
37 - 40        IDcode        sIdCode       ID code of a superseded entry.         
42 - 45        IDcode        sIdCode       ID code of a superseded entry.         
47 - 50        IDcode        sIdCode       ID code of a superseded entry.         
52 - 55        IDcode        sIdCode       ID code of a superseded entry.         
57 - 60        IDcode        sIdCode       ID code of a superseded entry.         
62 - 65        IDcode        sIdCode       ID code of a superseded entry.         
67 - 70        IDcode        sIdCode       ID code of a superseded entry.
72 - 75        IDcode        sIdCode       ID code of a superseded entry.         

Details

Verification/Validation/Value Authority Control

wwPDB checks that the superseded entries have actually been removed from release.

Relationships to Other Record Types

The sprsdeDate is usually the date the entry is released, and therefore matches the date in the REVDAT 1 record. The ID code found in the idCode field must be the same as one found in the idCode field of the HEADER record.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
SPRSDE     17-JUL-84 4HHB      1HHB
SPRSDE     27-FEB-95 1GDJ      1LH4 2LH4


JRNL

Overview

The JRNL record contains the primary literature citation that describes the experiment which resulted in the deposited coordinate set. There is at most one JRNL reference per entry. If there is no primary reference, then there is no JRNL reference. Other references are given in REMARK 1.

Record Format

COLUMNS       DATA TYPE      FIELD         DEFINITION                  
-----------------------------------------------------------------------
 1 -  6       Record name    "JRNL"                                  
13 - 79       LString        text          See Details below.           

Details

1. AUTH

COLUMNS       DATA  TYPE     FIELD               DEFINITION                         
-------------------------------------------------------------------------------
 1 -  6       Record name    "REMARK"                                          
10            LString(1)     "1"                                               
13 - 16       LString(4)     "AUTH"              Appears on all continuation records.
17 - 18       Continuation   continuation        Allows  a long list of authors.     
20 - 79       List           authorList          List of the authors.               

2. TITL

COLUMNS       DATA  TYPE     FIELD               DEFINITION                         
-----------------------------------------------------------------------------------
 1 -  6       Record name    "REMARK"                                          
10            LString(1)     "1"                                               
13 - 16       LString(4)     "TITL"              Appears on all continuation records.
17 - 18       Continuation   continuation        Permits long titles.               
20 - 79       LString        title               Title of the article. 

3. EDIT

COLUMNS       DATA  TYPE     FIELD               DEFINITION                         
-----------------------------------------------------------------------------------
1 -  6        Record name    "REMARK"                                          
10            LString(1)     "1"                                               
13 - 16       LString(4)     "TITL"              Appears  on all continuation records.
17 - 18       Continuation   continuation        Permits long titles.               
20 - 79       LString        title               Title of the article.

4. REF

COLUMNS       DATA  TYPE     FIELD               DEFINITION
--------------------------------------------------------------------------------
 1 -  6       Record name    "JRNL  "
13 - 16       LString(3)     "REF"
20 - 34       LString(15)    "TO BE PUBLISHED"
COLUMNS       DATA  TYPE     FIELD              DEFINITION
---------------------------------------------------------------------------------------
 1 -  6       Record name    "JRNL  "
13 - 16       LString(3)     "REF "
17 - 18       Continuation   continuation       Allows long publication names.
20 - 47       LString        pubName            Name  of the publication including section
                                                or series designation. This is the only
                                                field of this sub-record which may be
                                                continued on  successive sub-records.
50 - 51       LString(2)     "V."               Appears in the first sub-record only,
                                                and  only if column 55 is non-blank.
52 - 55       String         volume             Right-justified blank-filled volume
                                                information; appears in the first
                                                sub-record only.
57 - 61       String         page               First page of the article; appears in 
                                                the first sub-record only.
63 - 66       Integer        year               Year of publication; first sub-record only.

5. PUBL

COLUMNS       DATA  TYPE     FIELD              DEFINITION
--------------------------------------------------------------------------------------
 1 -  6       Record name    "JRNL  "
13 - 16       LString(4)     "PUBL"
17 - 18       Continuation   continuation       Allows long publisher and place names.
20 - 70       LString        pub                City  of publication and name of the
                                                publisher/institution.

6. REFN

6a. This form of the REFN sub-record type group is used if the citation has not been published.

COLUMNS       DATA  TYPE     FIELD              DEFINITION
--------------------------------------------------------------------------------
 1 -  6       Record  name   "JRNL  "
13 - 16       LString(4)     "REFN"

6b. This form of the REFN sub-record type group is used if the citation has been published.

COLUMNS       DATA TYPE      FIELD              DEFINITION
-------------------------------------------------------------------------------
 1 -  6       Record name    "JRNL  "
13 - 16       LString(4)     "REFN"
36 - 39       LString(4)     "ISSN" or          International Standard Serial Number or 
                             "ESSN"             Electronic Standard Serial Number.
41 - 65       LString        issn               ISSN number (final digit may be a
                                                letter and may contain one or 
                                                more dashes).

7. PMID

COLUMNS       DATA  TYPE     FIELD              DEFINITION
--------------------------------------------------------------------------------
 1 -  6       Record  name   "JRNL  "
13 - 16       LString(4)     "PMID"
20 – 79       Integer        continuation       unique PubMed identifier number assigned to 
                                                the publication  describing the experiment.
                                                Allows  for a long PubMed ID number.

8. DOI

COLUMNS       DATA  TYPE     FIELD              DEFINITION
--------------------------------------------------------------------------------
 1 -  6       Record  name   "JRNL  "
13 - 16       LString(4)     "DOI "
20 – 79       LString        continuation       Unique DOI assigned to the publication
                                                describing the experiment.
                                                Allows for a long DOI string.

Verification/Validation/Value Authority Control

wwPDB verifies that this record is correctly formatted.

Citations appearing in JRNL may not also appear in REMARK 1.

Relationships to Other Record Types

The publication cited as the JRNL record may not be repeated in REMARK 1.

Example

         1         2         3         4         5         6         7         8
12345678901234567890123456789012345678901234567890123456789012345678901234567890
JRNL        AUTH   G.FERMI,M.F.PERUTZ,B.SHAANAN,R.FOURME                        
JRNL        TITL   THE CRYSTAL STRUCTURE OF  HUMAN DEOXYHAEMOGLOBIN AT           
JRNL        TITL 2 1.74 A RESOLUTION                                            
JRNL        REF    J.MOL.BIOL.                   V. 175   159 1984               
JRNL        REFN                   ISSN 0022-2836                               
JRNL        PMID   6726807                                                      
JRNL        DOI    10.1016/0022-2836(84)90472-8                                 

Known Problems