Structure of PDB 5w0c Chain A

Receptor sequence
>5w0cA (length=464) Species: 9606 (Homo sapiens) [Search protein sequence]
GKLPPGPTPLPVIGNILQIGIKDISKSLTNLSKVYGPVFTLYFGLKPIVV
LHGYEAVKEALIDLGEEFSGRGIFPLAERANRGFGIVFSNGKKWKEIRRF
SLMTLRNFGMGKRSIEDRVQEEARCLVEELRKTKASPCDPTFILGCAPCN
VICSIIFHKRFDYKDQQFLNLMEKLNENIKILSSPWIQICNNFSPIIDYF
PGTHNKLLKNVAFMKSYILEKVKEHQESMDMNNPQDFIDCFLMKMEKEKH
NQPSEFTIESLENTAVDLFGAGTETTSTTLRYALLLLLKHPEVTAKVQEE
IERVIGRNRSPCMQDRSHMPYTDAVVHEVQRYIDLLPTSLPHAVTCDIKF
RNYLIPKGTTILISLTSVLHDNKEFPNPEMFDPHHFLDEGGNFKKSKYFM
PFSAGKRICVGEALAGMELFLFLTSILQNFNLKSLVDPKNLDTTPVVNGF
ASVPPFYQLCFIPI
3D structure
PDB5w0c Determinants of the Inhibition of DprE1 and CYP2C9 by Antitubercular Thiophenes.
ChainA
Resolution2.001 Å
3D
structure
Catalytic site residues are labeled in the structure
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Enzymatic activity
Catalytic site (original residue number in PDB) T301 F428 C435
Catalytic site (residue number reindexed from 1) T275 F402 C409
Enzyme Commision number 1.14.14.1: unspecific monooxygenase.
1.14.14.51: (S)-limonene 6-monooxygenase.
1.14.14.52: (S)-limonene 7-monooxygenase.
1.14.14.53: (R)-limonene 6-monooxygenase.
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 HEM A R97 I112 V113 W120 A297 G298 T301 L362 S365 H368 P427 F428 S429 R433 C435 V436 G437 A441 R71 I86 V87 W94 A271 G272 T275 L336 S339 H342 P401 F402 S403 R407 C409 V410 G411 A415
BS02 9W6 A F100 L102 A103 R108 F114 L208 L233 A297 F74 L76 A77 R82 F88 L182 L207 A271 BindingDB: IC50=100nM
Gene Ontology
Molecular Function
GO:0004497 monooxygenase activity
GO:0005506 iron ion binding
GO:0008392 arachidonate epoxygenase activity
GO:0008395 steroid hydroxylase activity
GO:0008404 arachidonate 14,15-epoxygenase activity
GO:0008405 arachidonate 11,12-epoxygenase activity
GO:0016491 oxidoreductase activity
GO:0016705 oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
GO:0016712 oxidoreductase 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
GO:0018675 (S)-limonene 6-monooxygenase activity
GO:0018676 (S)-limonene 7-monooxygenase activity
GO:0020037 heme binding
GO:0034875 caffeine oxidase activity
GO:0046872 metal ion binding
GO:0052741 (R)-limonene 6-monooxygenase activity
GO:0070330 aromatase activity
Biological Process
GO:0006805 xenobiotic metabolic process
GO:0008202 steroid metabolic process
GO:0008203 cholesterol metabolic process
GO:0008210 estrogen metabolic process
GO:0016098 monoterpenoid metabolic process
GO:0019369 arachidonate metabolic process
GO:0019373 epoxygenase P450 pathway
GO:0019627 urea metabolic process
GO:0032787 monocarboxylic acid metabolic process
GO:0042178 xenobiotic catabolic process
GO:0042759 long-chain fatty acid biosynthetic process
GO:0043603 amide metabolic process
GO:0046456 icosanoid biosynthetic process
GO:0070989 oxidative demethylation
GO:0097267 omega-hydroxylase P450 pathway
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5w0c, PDBe:5w0c, PDBj:5w0c
PDBsum5w0c
PubMed28815830
UniProtP11712|CP2C9_HUMAN Cytochrome P450 2C9 (Gene Name=CYP2C9)

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