Header of PDB file: Difference between revisions
From Proteopedia
Jump to navigationJump to search
Eric Martz (talk | contribs) |
Eric Martz (talk | contribs) No edit summary |
||
| Line 6: | Line 6: | ||
The header section for an X-ray crystallographic model specifies important information including a TITLE, the type and source of the molecule (COMPND, SOURCE), the method of structure determination (EXPDTA), the publication (AUTHOR, JRNL, REMARK 1), experimental details in a series of REMARK records, the biological assembly (REMARK 350), missing residues (REMARK 465), geometry and stereochemistry anomalies (REMARK 500), database links such as the UniProt identifier (DBREF), discrepancies in sequences (SEQADV), sequences of the modeled polymers (SEQRES), names of hetero compounds (HETNAM, HETSYN), secondary structure (HELIX, SHEET), and a description of the crystallographic unit cell (CRYST, ORIGX, SCALE), among other things. | The header section for an X-ray crystallographic model specifies important information including a TITLE, the type and source of the molecule (COMPND, SOURCE), the method of structure determination (EXPDTA), the publication (AUTHOR, JRNL, REMARK 1), experimental details in a series of REMARK records, the biological assembly (REMARK 350), missing residues (REMARK 465), geometry and stereochemistry anomalies (REMARK 500), database links such as the UniProt identifier (DBREF), discrepancies in sequences (SEQADV), sequences of the modeled polymers (SEQRES), names of hetero compounds (HETNAM, HETSYN), secondary structure (HELIX, SHEET), and a description of the crystallographic unit cell (CRYST, ORIGX, SCALE), among other things. | ||
== | ==Example== | ||
* [https://www.ebi.ac.uk/pdbe/static/entry/1hxw.header Header section of PDB file 1hxw]. | |||
* [https://www.ebi.ac.uk/pdbe/entry-files/pdb1hxw.ent Entire PDB file 1hxw]. This is the header section plus the ATOM and HETATM records. | |||
==Methods for Viewing the Header Section== | |||
In Proteopedia, at the page titled with the [[PDB code]] (for example [[1hxw]]): | In Proteopedia, at the page titled with the [[PDB code]] (for example [[1hxw]]): | ||
