Brand  (β version)

PDB ID: 1R9O

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Ligands
Code Name Style Show Link
FLP Flurbiprofen PoSSuM
GOL Glycerol PoSSuM
HEM Protoporphyrin ix containing Fe PoSSuM
Non-standard Residues
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Glycosylation
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Structure summary

Code : 1R9O   PDBj   RCSB PDB   PDBe
Header : OXIDOREDUCTASE
Title : Crystal Structure of P4502C9 with Flurbiprofen bound
Release Data : 2004-06-15
Compound :
mol_id molecule chains synonym
1 Cytochrome P450 2C9 A CYPIIC9, P450 PB-1, P450 MP-4, S-mephenytoin 4-hydroxylase, P-450MP
ec: 1.14.14.1
fragment: catalytic domain
mutation: I490V
Source :
mol_id organism_scientific organism_common expression_system
1 Homo sapiens  (taxid:9606) Human Escherichia coli  (taxid:562)
gene: CYP2C9
expression_system_strain: DH5a
expression_system_vector_type: plasmid
expression_system_plasmid: PCWori
Authors : Wester, M.R., Yano, J.K., Schoch, G.A., Griffin, K.J., Stout, C.D., Johnson, E.F.
Keywords : P450, monooxygenase, drug metabolizing enzyme, oxidoreductase, heme
Exp. method : X-RAY DIFFRACTION ( 2.0 Å )
Citation :

The Structure of Human Cytochrome P450 2C9 Complexed with Flurbiprofen at 2.0 A Resolution

Wester, M.R.,Yano, J.K.,Schoch, G.A.  et al.
(2004)  J.Biol.Chem.  279 : 35630 - 35637

PubMed: 15181000
DOI: 10.1074/jbc.M405427200

Reaction

Chain : A
UniProt : P11712 (CP2C9_HUMAN)
Reaction: EC: Evidence:
Physiological Direction:
an organic molecule + O2 + reduced [NADPH--hemoprotein reductase] = an alcohol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.1 PubMed:12865317, PubMed:21576599, PubMed:9435160, PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (8R,9S)-epoxy-(5Z,11Z,14Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:7574697
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (8S,9R)-epoxy-(5Z,11Z,14Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:7574697
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (11R,12S)-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:7574697
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (11S,12R)-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:7574697
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (14R,15S)-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:19965576, PubMed:7574697
left-to-right PubMed:19965576, PubMed:7574697
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (14S,15R)-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:19965576, PubMed:7574697
left-to-right PubMed:19965576, PubMed:7574697
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 8,9-epoxy-(5Z,11Z,14Z,17Z)-eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:15766564
left-to-right
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 11,12-epoxy-(5Z,8Z,14Z,17Z)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:15766564
left-to-right
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 14,15-epoxy-(5Z,8Z,11Z,17Z)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:15766564
left-to-right
(5Z,8Z,11Z,14Z,17Z)-eicosapentaenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (17R,18S)-epoxy-(5Z,8Z,11Z,14Z)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:15766564, PubMed:19965576
left-to-right PubMed:15766564, PubMed:19965576
cholesterol + O2 + reduced [NADPH--hemoprotein reductase] = 25-hydroxycholesterol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:21576599
left-to-right
17beta-estradiol + O2 + reduced [NADPH--hemoprotein reductase] = 2-hydroxy-17beta-estradiol + H(+) + H2O + oxidized [NADPH-- hemoprotein reductase] - PubMed:12865317
left-to-right
estrone + O2 + reduced [NADPH--hemoprotein reductase] = 2- hydroxyestrone + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:12865317
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (11R)-hydroxy-(5Z,8Z,12E,14Z)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (12R)-hydroxy-(5Z,8Z,10E,14Z)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9435160, PubMed:9866708
left-to-right PubMed:9866708
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = (15R)-hydroxy-(5Z,8Z,11Z,13E)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 10-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(9Z,12Z)-octadecadienoate + O2 + reduced [NADPH--hemoprotein reductase] = (13R)-hydroxy-(9Z,11E)-octadecadienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(9Z,12Z)-octadecadienoate + O2 + reduced [NADPH--hemoprotein reductase] = (9R)-hydroxy-(10E,12Z)-octadecadienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 19-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9435160, PubMed:9866708
left-to-right PubMed:9866708
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 13(S)-hydroxy-(5Z,8Z,11Z,14Z)- eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 14,15-epoxy-(5Z,8Z,11Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 11,12-epoxy-(5Z,8Z,14Z)-eicosatrienoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9866708
left-to-right
(5Z,8Z,11Z,14Z)-eicosatetraenoate + O2 + reduced [NADPH-- hemoprotein reductase] = 13-hydroxy-(5Z,8Z,11Z,14Z)-eicosatetraenoate + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] - PubMed:9435160
left-to-right
(4R)-limonene + O2 + reduced [NADPH--hemoprotein reductase] = (1R,5S)-carveol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.53 PubMed:11950794
-
(4S)-limonene + O2 + reduced [NADPH--hemoprotein reductase] = (1S,5R)-carveol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.51 PubMed:11950794
-
(4S)-limonene + O2 + reduced [NADPH--hemoprotein reductase] = (4S)-perillyl alcohol + H(+) + H2O + oxidized [NADPH--hemoprotein reductase] 1.14.14.52 PubMed:11950794
-