PDB entry 3n8x

View 3n8x on RCSB PDB site
Description: Crystal Structure of Cyclooxygenase-1 in Complex with Nimesulide
Class: oxidoreductase
Keywords: cox-1, cyclooxygenase, peroxidase, prostaglandin, heme, nimesulide, merohedral twinned, OXIDOREDUCTASE
Deposited on 2010-05-28, released 2010-07-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2010-09-01, with a file datestamp of 2010-08-27.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.182
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Prostaglandin G/H synthase 1
    Species: Ovis aries [TaxId:9940]
    Gene: COX1, PTGS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05979 (0-552)
      • conflict (60)
    Domains in SCOPe 2.07: d3n8xa1, d3n8xa2
  • Chain 'B':
    Compound: Prostaglandin G/H synthase 1
    Species: Ovis aries [TaxId:9940]
    Gene: COX1, PTGS1
    Database cross-references and differences (RAF-indexed):
    • Uniprot P05979 (0-552)
      • conflict (60)
    Domains in SCOPe 2.07: d3n8xb1, d3n8xb2
  • Heterogens: HEM, NAG, NIM, BOG, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3n8xA (A:)
    pvnpccyypcqhqgicvrfgldryqcdctrtgysgpnctipeiwtwlrttlrpspsfihf
    llthgrwlwdfvnatfirdtlmrlvltvrsnlipspptyniahdyiswesfsnvsyytri
    lpsvprdcptpmgtkgkkqlpdaeflsrrfllrrkfipdpqgtnlmfaffaqhfthqffk
    tsgkmgpgftkalghgvdlghiygdnlerqyqlrlfkdgklkyqmlngevyppsveeapv
    lmhyprgippqsqmavgqevfgllpglmlyatiwlrehnrvcdllkaehptwgdeqlfqt
    arliligetikivieeyvqqlsgyflqlkfdpellfgaqfqyrnriamefnqlyhwhplm
    pdsfrvgpqdysyeqflfntsmlvdygvealvdafsrqpagrigggrnidhhilhvavdv
    ikesrvlrlqpfneyrkrfgmkpytsfqeltgekemaaeleelygdidalefypglllek
    chpnsifgesmiemgapfslkgllgnpicspeywkastfggevgfnlvktatlkklvcln
    tktcpyvsfhvpd
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >3n8xB (B:)
    pvnpccyypcqhqgicvrfgldryqcdctrtgysgpnctipeiwtwlrttlrpspsfihf
    llthgrwlwdfvnatfirdtlmrlvltvrsnlipspptyniahdyiswesfsnvsyytri
    lpsvprdcptpmgtkgkkqlpdaeflsrrfllrrkfipdpqgtnlmfaffaqhfthqffk
    tsgkmgpgftkalghgvdlghiygdnlerqyqlrlfkdgklkyqmlngevyppsveeapv
    lmhyprgippqsqmavgqevfgllpglmlyatiwlrehnrvcdllkaehptwgdeqlfqt
    arliligetikivieeyvqqlsgyflqlkfdpellfgaqfqyrnriamefnqlyhwhplm
    pdsfrvgpqdysyeqflfntsmlvdygvealvdafsrqpagrigggrnidhhilhvavdv
    ikesrvlrlqpfneyrkrfgmkpytsfqeltgekemaaeleelygdidalefypglllek
    chpnsifgesmiemgapfslkgllgnpicspeywkastfggevgfnlvktatlkklvcln
    tktcpyvsfhvpd