PDB entry 3kk6

View 3kk6 on RCSB PDB site
Description: Crystal Structure of Cyclooxygenase-1 in complex with celecoxib
Class: oxidoreductase
Keywords: cox-1, cyclooxygenase, peroxidase, prostaglandin, heme, celecoxib, merohedral twinned, Dioxygenase, Disulfide bond, EGF-like domain, Endoplasmic reticulum, Fatty acid biosynthesis, Glycoprotein, Iron, Lipid synthesis, Membrane, Metal-binding, Microsome, Oxidoreductase, Prostaglandin biosynthesis, Transmembrane
Deposited on 2009-11-04, released 2009-12-15
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-07-29, with a file datestamp of 2020-07-04.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: N/A
AEROSPACI score: 0.21 (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)
      • see remark 999 (60)
    Domains in SCOPe 2.08: d3kk6a1, d3kk6a2
  • 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)
      • see remark 999 (60)
    Domains in SCOPe 2.08: d3kk6b1, d3kk6b2
  • Heterogens: HEM, CEL, BOG, FLC, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3kk6A (A:)
pvnpccyypcqhqgicvrfgldryqcdctrtgysgpnctipeiwtwlrttlrpspsfihf
llthgrwlwdfvnatfirdtlmrlvltvrsnlipspptyniahdyiswesfsnvsyytri
lpsvprdcptpmgtkgkkqlpdaeflsrrfllrrkfipdpqgtnlmfaffaqhfthqffk
tsgkmgpgftkalghgvdlghiygdnlerqyqlrlfkdgklkyqmlngevyppsveeapv
lmhyprgippqsqmavgqevfgllpglmlyatiwlrehnrvcdllkaehptwgdeqlfqt
arliligetikivieeyvqqlsgyflqlkfdpellfgaqfqyrnriamefnqlyhwhplm
pdsfrvgpqdysyeqflfntsmlvdygvealvdafsrqpagrigggrnidhhilhvavdv
ikesrvlrlqpfneyrkrfgmkpytsfqeltgekemaaeleelygdidalefypglllek
chpnsifgesmiemgapfslkgllgnpicspeywkastfggevgfnlvktatlkklvcln
tktcpyvsfhvpd

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download) 
    >3kk6B (B:)
pvnpccyypcqhqgicvrfgldryqcdctrtgysgpnctipeiwtwlrttlrpspsfihf
llthgrwlwdfvnatfirdtlmrlvltvrsnlipspptyniahdyiswesfsnvsyytri
lpsvprdcptpmgtkgkkqlpdaeflsrrfllrrkfipdpqgtnlmfaffaqhfthqffk
tsgkmgpgftkalghgvdlghiygdnlerqyqlrlfkdgklkyqmlngevyppsveeapv
lmhyprgippqsqmavgqevfgllpglmlyatiwlrehnrvcdllkaehptwgdeqlfqt
arliligetikivieeyvqqlsgyflqlkfdpellfgaqfqyrnriamefnqlyhwhplm
pdsfrvgpqdysyeqflfntsmlvdygvealvdafsrqpagrigggrnidhhilhvavdv
ikesrvlrlqpfneyrkrfgmkpytsfqeltgekemaaeleelygdidalefypglllek
chpnsifgesmiemgapfslkgllgnpicspeywkastfggevgfnlvktatlkklvcln
tktcpyvsfhvpd