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4NZ2

Crystal structure of CYP2C9 in complex with an inhibitor

Functional Information from GO Data
ChainGOidnamespacecontents
A0004497molecular_functionmonooxygenase activity
A0005506molecular_functioniron ion binding
A0005737cellular_componentcytoplasm
A0005783cellular_componentendoplasmic reticulum
A0005789cellular_componentendoplasmic reticulum membrane
A0005886cellular_componentplasma membrane
A0006082biological_processorganic acid metabolic process
A0006629biological_processlipid metabolic process
A0006805biological_processxenobiotic metabolic process
A0008202biological_processsteroid metabolic process
A0008203biological_processcholesterol metabolic process
A0008210biological_processestrogen metabolic process
A0008392molecular_functionarachidonic acid epoxygenase activity
A0008395molecular_functionsteroid hydroxylase activity
A0008404molecular_functionarachidonic acid 14,15-epoxygenase activity
A0008405molecular_functionarachidonic acid 11,12-epoxygenase activity
A0016020cellular_componentmembrane
A0016098biological_processmonoterpenoid metabolic process
A0016491molecular_functionoxidoreductase activity
A0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A0016712molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
A0018675molecular_function(S)-limonene 6-monooxygenase activity
A0018676molecular_function(S)-limonene 7-monooxygenase activity
A0019369biological_processarachidonic acid metabolic process
A0019373biological_processepoxygenase P450 pathway
A0019627biological_processurea metabolic process
A0020037molecular_functionheme binding
A0032787biological_processmonocarboxylic acid metabolic process
A0034875molecular_functioncaffeine oxidase activity
A0042178biological_processxenobiotic catabolic process
A0042759biological_processlong-chain fatty acid biosynthetic process
A0043231cellular_componentintracellular membrane-bounded organelle
A0043603biological_processamide metabolic process
A0046456biological_processicosanoid biosynthetic process
A0046872molecular_functionmetal ion binding
A0052741molecular_function(R)-limonene 6-monooxygenase activity
A0070330molecular_functionaromatase activity
A0070989biological_processoxidative demethylation
A0097267biological_processomega-hydroxylase P450 pathway
B0004497molecular_functionmonooxygenase activity
B0005506molecular_functioniron ion binding
B0005737cellular_componentcytoplasm
B0005783cellular_componentendoplasmic reticulum
B0005789cellular_componentendoplasmic reticulum membrane
B0005886cellular_componentplasma membrane
B0006082biological_processorganic acid metabolic process
B0006629biological_processlipid metabolic process
B0006805biological_processxenobiotic metabolic process
B0008202biological_processsteroid metabolic process
B0008203biological_processcholesterol metabolic process
B0008210biological_processestrogen metabolic process
B0008392molecular_functionarachidonic acid epoxygenase activity
B0008395molecular_functionsteroid hydroxylase activity
B0008404molecular_functionarachidonic acid 14,15-epoxygenase activity
B0008405molecular_functionarachidonic acid 11,12-epoxygenase activity
B0016020cellular_componentmembrane
B0016098biological_processmonoterpenoid metabolic process
B0016491molecular_functionoxidoreductase activity
B0016705molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B0016712molecular_functionoxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced flavin or flavoprotein as one donor, and incorporation of one atom of oxygen
B0018675molecular_function(S)-limonene 6-monooxygenase activity
B0018676molecular_function(S)-limonene 7-monooxygenase activity
B0019369biological_processarachidonic acid metabolic process
B0019373biological_processepoxygenase P450 pathway
B0019627biological_processurea metabolic process
B0020037molecular_functionheme binding
B0032787biological_processmonocarboxylic acid metabolic process
B0034875molecular_functioncaffeine oxidase activity
B0042178biological_processxenobiotic catabolic process
B0042759biological_processlong-chain fatty acid biosynthetic process
B0043231cellular_componentintracellular membrane-bounded organelle
B0043603biological_processamide metabolic process
B0046456biological_processicosanoid biosynthetic process
B0046872molecular_functionmetal ion binding
B0052741molecular_function(R)-limonene 6-monooxygenase activity
B0070330molecular_functionaromatase activity
B0070989biological_processoxidative demethylation
B0097267biological_processomega-hydroxylase P450 pathway
Functional Information from PDB Data
site_idAC1
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEM A 501
ChainResidue
AARG97
ATHR302
AGLN356
ALEU361
ALEU362
ASER365
AHIS368
APRO427
APHE428
ASER429
AARG433
AILE112
ACYS435
AGLY437
AALA441
AHOH647
AVAL113
ATRP120
AARG124
ALEU294
AALA297
AGLY298
ATHR301

site_idAC2
Number of Residues7
DetailsBINDING SITE FOR RESIDUE GOL A 502
ChainResidue
APHE100
ATHR364
ASER365
APRO367
APHE476
ASO4503
AHOH631

site_idAC3
Number of Residues3
DetailsBINDING SITE FOR RESIDUE SO4 A 503
ChainResidue
ALEU208
AGOL502
A2QJ504

site_idAC4
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2QJ A 504
ChainResidue
AALA106
AASN107
APHE114
ALEU233
AGLY296
ATHR301
ATHR304
ALEU362
ALEU366
AALA477
ASO4503
AHOH681
AHOH695

site_idAC5
Number of Residues23
DetailsBINDING SITE FOR RESIDUE HEM B 501
ChainResidue
BARG97
BILE112
BVAL113
BTRP120
BARG124
BLEU294
BALA297
BGLY298
BTHR301
BTHR302
BTHR305
BGLN356
BLEU362
BSER365
BHIS368
BPRO427
BPHE428
BSER429
BARG433
BCYS435
BGLY437
BALA441
BHOH755

site_idAC6
Number of Residues6
DetailsBINDING SITE FOR RESIDUE GOL B 502
ChainResidue
BPHE100
BTHR364
BSER365
BPRO367
BPHE476
BSO4503

site_idAC7
Number of Residues4
DetailsBINDING SITE FOR RESIDUE SO4 B 503
ChainResidue
BLEU208
BGOL502
B2QJ504
BHOH668

site_idAC8
Number of Residues13
DetailsBINDING SITE FOR RESIDUE 2QJ B 504
ChainResidue
BASN107
BPHE114
BILE205
BVAL237
BGLY296
BGLU300
BTHR301
BTHR304
BLEU362
BALA477
BSO4503
BHOH682
BHOH758

Functional Information from PROSITE/UniProt
site_idPS00086
Number of Residues10
DetailsCYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FSaGKRICVG
ChainResidueDetails
APHE428-GLY437

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues2
DetailsBINDING: axial binding residue
ChainResidueDetails
ACYS435
BCYS435

218853

PDB entries from 2024-04-24

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