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3KK6

Crystal Structure of Cyclooxygenase-1 in complex with celecoxib

Functional Information from GO Data
ChainGOidnamespacecontents
A0001516biological_processprostaglandin biosynthetic process
A0004601molecular_functionperoxidase activity
A0004666molecular_functionprostaglandin-endoperoxide synthase activity
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0006979biological_processresponse to oxidative stress
A0008217biological_processregulation of blood pressure
A0016020cellular_componentmembrane
A0016702molecular_functionoxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
A0019371biological_processcyclooxygenase pathway
A0020037molecular_functionheme binding
A0042803molecular_functionprotein homodimerization activity
A0043005cellular_componentneuron projection
A0043231cellular_componentintracellular membrane-bounded organelle
A0046872molecular_functionmetal ion binding
A0051213molecular_functiondioxygenase activity
A0098869biological_processcellular oxidant detoxification
B0001516biological_processprostaglandin biosynthetic process
B0004601molecular_functionperoxidase activity
B0004666molecular_functionprostaglandin-endoperoxide synthase activity
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0006979biological_processresponse to oxidative stress
B0008217biological_processregulation of blood pressure
B0016020cellular_componentmembrane
B0016702molecular_functionoxidoreductase activity, acting on single donors with incorporation of molecular oxygen, incorporation of two atoms of oxygen
B0019371biological_processcyclooxygenase pathway
B0020037molecular_functionheme binding
B0042803molecular_functionprotein homodimerization activity
B0043005cellular_componentneuron projection
B0043231cellular_componentintracellular membrane-bounded organelle
B0046872molecular_functionmetal ion binding
B0051213molecular_functiondioxygenase activity
B0098869biological_processcellular oxidant detoxification
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues72
DetailsTRANSMEM: Helical
ChainResidueDetails
AILE74-LEU82
APRO86-LEU92
AARG97-ALA105
AILE108-ASN122
BILE74-LEU82
BPRO86-LEU92
BARG97-ALA105
BILE108-ASN122

site_idSWS_FT_FI2
Number of Residues2
DetailsACT_SITE: Proton acceptor
ChainResidueDetails
AHIS207
BHIS207

site_idSWS_FT_FI3
Number of Residues2
DetailsACT_SITE: For cyclooxygenase activity => ECO:0000269|PubMed:2122967
ChainResidueDetails
ATYR385
BTYR385

site_idSWS_FT_FI4
Number of Residues2
DetailsBINDING: axial binding residue
ChainResidueDetails
AHIS388
BHIS388

site_idSWS_FT_FI5
Number of Residues2
DetailsSITE: Not glycosylated => ECO:0000269|PubMed:8349699
ChainResidueDetails
AASN104
BASN104

site_idSWS_FT_FI6
Number of Residues2
DetailsSITE: Aspirin-acetylated serine
ChainResidueDetails
ASER530
BSER530

site_idSWS_FT_FI7
Number of Residues6
DetailsCARBOHYD: N-linked (GlcNAc...) asparagine => ECO:0000269|PubMed:8349699
ChainResidueDetails
AASN68
AASN144
AASN410
BASN68
BASN144
BASN410

Catalytic Information from CSA
site_idCSA1
Number of Residues1
DetailsAnnotated By Reference To The Literature 1mhl
ChainResidueDetails
AVAL291

site_idCSA2
Number of Residues1
DetailsAnnotated By Reference To The Literature 1mhl
ChainResidueDetails
BVAL291

site_idCSA3
Number of Residues3
DetailsAnnotated By Reference To The Literature 1mhl
ChainResidueDetails
AHIS207
ATYR385
AGLN203

site_idCSA4
Number of Residues3
DetailsAnnotated By Reference To The Literature 1mhl
ChainResidueDetails
BHIS207
BTYR385
BGLN203

219140

PDB entries from 2024-05-01

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