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SummaryStructural detailsExperimental detailsFunctional detailsSequence NeighborHistoryDownloads

4FM5

X-ray structure of des-methylflurbiprofen bound to murine COX-2

Functional Information from GO Data
ChainGOidnamespacecontents
A0004601molecular_functionperoxidase activity
A0006979biological_processresponse to oxidative stress
A0020037molecular_functionheme binding
B0004601molecular_functionperoxidase activity
B0006979biological_processresponse to oxidative stress
B0020037molecular_functionheme binding
C0004601molecular_functionperoxidase activity
C0006979biological_processresponse to oxidative stress
C0020037molecular_functionheme binding
D0004601molecular_functionperoxidase activity
D0006979biological_processresponse to oxidative stress
D0020037molecular_functionheme binding
Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues148
DetailsDomain: {"description":"EGF-like","evidences":[{"source":"PROSITE-ProRule","id":"PRU00076","evidenceCode":"ECO:0000255"}]}
ChainResidueDetails
site_idSWS_FT_FI2
Number of Residues4
DetailsActive site: {"description":"Proton acceptor","evidences":[{"source":"PROSITE-ProRule","id":"PRU00298","evidenceCode":"ECO:0000255"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI3
Number of Residues4
DetailsActive site: {"description":"For cyclooxygenase activity","evidences":[{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI4
Number of Residues8
DetailsBinding site: {"evidences":[{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI5
Number of Residues4
DetailsBinding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FM5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI6
Number of Residues4
DetailsSite: {"description":"Aspirin-acetylated serine"}
ChainResidueDetails
site_idSWS_FT_FI7
Number of Residues4
DetailsModified residue: {"description":"S-nitrosocysteine","evidences":[{"source":"UniProtKB","id":"P35354","evidenceCode":"ECO:0000250"}]}
ChainResidueDetails
site_idSWS_FT_FI8
Number of Residues4
DetailsModified residue: {"description":"O-acetylserine; by SPHK1","evidences":[{"source":"PubMed","id":"29662056","evidenceCode":"ECO:0000269"}]}
ChainResidueDetails
site_idSWS_FT_FI9
Number of Residues4
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","featureId":"CAR_000222","evidences":[{"source":"PubMed","id":"10811226","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21467029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8349699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DDX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MDL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NT1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QH0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3TZI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E1G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RS0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RUT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Z0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FDQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI10
Number of Residues4
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","featureId":"CAR_000223","evidences":[{"source":"PubMed","id":"10811226","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21467029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8349699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DDX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MDL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NT1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QH0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3TZI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E1G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4FM5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RS0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RUT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Z0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FDQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
site_idSWS_FT_FI11
Number of Residues4
DetailsGlycosylation: {"description":"N-linked (GlcNAc...) asparagine","featureId":"CAR_000224","evidences":[{"source":"PubMed","id":"10811226","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"12925531","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20463020","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"20810665","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21467029","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"21489986","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8349699","evidenceCode":"ECO:0000269"},{"source":"PubMed","id":"8967954","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"1CVU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1CX2","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1DDX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"1PXX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS5","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS6","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3HS7","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3KRK","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3LN1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MDL","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3MQE","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NT1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTB","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NTG","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3OLU","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3PGH","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QH0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3QMO","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3TZI","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4E1G","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M10","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4M11","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTJ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4OTY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4PH9","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRW","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RRZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RS0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4RUT","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"4Z0L","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5COX","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5FDQ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVY","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JVZ","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"5JW1","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"6COX","evidenceCode":"ECO:0007744"}]}
ChainResidueDetails
Catalytic Information from CSA
site_idMCSA1
Number of Residues7
DetailsM-CSA 37
ChainResidueDetails
AGLN203electrostatic stabiliser, hydrogen bond donor
AHIS207electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
ALEU384steric role
ATYR385hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser
AHIS388metal ligand
AGLY526steric role
ASER530electrostatic stabiliser
site_idMCSA2
Number of Residues7
DetailsM-CSA 37
ChainResidueDetails
BGLN203electrostatic stabiliser, hydrogen bond donor
BHIS207electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
BLEU384steric role
BTYR385hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser
BHIS388metal ligand
BGLY526steric role
BSER530electrostatic stabiliser
site_idMCSA3
Number of Residues7
DetailsM-CSA 37
ChainResidueDetails
CGLN203electrostatic stabiliser, hydrogen bond donor
CHIS207electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
CLEU384steric role
CTYR385hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser
CHIS388metal ligand
CGLY526steric role
CSER530electrostatic stabiliser
site_idMCSA4
Number of Residues7
DetailsM-CSA 37
ChainResidueDetails
DGLN203electrostatic stabiliser, hydrogen bond donor
DHIS207electrostatic stabiliser, hydrogen bond acceptor, hydrogen bond donor, proton acceptor, proton donor
DLEU384steric role
DTYR385hydrogen bond acceptor, hydrogen bond donor, hydrogen radical acceptor, hydrogen radical donor, radical stabiliser
DHIS388metal ligand
DGLY526steric role
DSER530electrostatic stabiliser

246704

PDB entries from 2025-12-24

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