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Miscellaneous Features SectionThe miscellaneous features section may describe features in the molecule such as environments surrounding a non-standard residue or an active site. Other features may be described in the remarks section but are not given a specific record type so far. SITEOverviewThe SITE records supply the identification of groups comprising important sites in the macromolecule. Record Format
COLUMNS DATA TYPE FIELD DEFINITION ------------------------------------------------------------------------ 1 - 6 Record name "SITE " 8 - 10 Integer seqNum Sequence number. 12 - 14 LString(3) siteID Site name. 16 - 17 Integer numRes Number of residues comprising site. 19 - 21 Residue name resName1 Residue name for first residue comprising site. 23 Character chainID1 Chain identifier for first residue comprising site. 24 - 27 Integer seq1 Residue sequence number for first residue comprising site. 28 AChar iCode1 Insertion code for first residue comprising site. 30 - 32 Residue name resName2 Residue name for second residue comprising site. 34 Character chainID2 Chain identifier for second residue comprising site. 35 - 38 Integer seq2 Residue sequence number for second residue comprising site. 39 AChar iCode2 Insertion code for second residue comprising site. 41 - 43 Residue name resName3 Residue name for third residue comprising site. 45 Character chainID3 Chain identifier for third residue comprising site. 46 - 49 Integer seq3 Residue sequence number for third residue comprising site. 50 AChar iCode3 Insertion code for third residue comprising site. 52 - 54 Residue name resName4 Residue name for fourth residue comprising site. 56 Character chainID4 Chain identifier for fourth residue comprising site. 57 - 60 Integer seq4 Residue sequence number for fourth residue comprising site. 61 AChar iCode4 Insertion code for fourth residue comprising site.Details
Every SITE must have a corresponding remark that describes it. The numbering of sequential SITE records and format of each one is verified, as well as the existence of each residue in the ATOM records. Relationships to Other Record TypesEach listed SITE needs a corresponding REMARK 800 that details its significance. Example
1 2 3 4 5 6 7 1234567890123456789012345678901234567890123456789012345678901234567890 SITE 1 DTA 3 ASP A 25 THR A 26 GLY A 27 SITE 1 DTB 3 ASP B 25 THR B 26 GLY B 27 SITE 1 A 4 U A 44 C A 46 G A 61 U A 118 SITE 1 ZN1 5 CYS A 97 CYS A 100 CYS A 103 CYS 1 111 SITE 2 ZN1 5 ZN A 375 |