Structure of PDB 2fdv Chain C

Receptor sequence

>2fdvC (length=464) Species: 9606 (Homo sapiens) [Search protein sequence]

GKLPPGPTPLPFIGNYLQLNTEQMYNSLMKISERYGPVFTIHLGPRRVVV
LCGHDAVREALVDQAEEFSGRGEQATFDWVFKGYGVVFSNGERAKQLRRF
SIATLRDFGVGKRGIEERIQEEAGFLIDALRGTGGANIDPTFFLSRTVSN
VISSIVFGDRFDYKDKEFLSLLRMMLGIFQFTSTSTGQLYEMFSSVMKHL
PGPQQQAFQLLQGLEDFIAKKVEHNQRTLDPNSPRDFIDSFLIRMQEEEK
NPNTEFYLKNLVMTTLNLFIGGTETVSTTLRYGFLLLMKHPEVEAKVHEE
IDRVIGKNRQPKFEDRAKMPYMEAVIHEIQRFGDVIPMSLARRVKKDTKF
RDFFLPKGTEVYPMLGSVLRDPSFFSNPQDFNPQHFLNEKGQFKKSDAFV
PFSIGKRNCFGEGLARMELFLFFTTVMQNFRLKSSQSPKDIDVSPKHVGF
ATIPRNYTMSFLPR

3D structure

PDB

2fdv Synthetic Inhibitors of Cytochrome P-450 2A6: Inhibitory Activity, Difference Spectra, Mechanism of Inhibition, and Protein Cocrystallization.

Chain

Resolution

1.65 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	T305 F432 C439
Catalytic site (residue number reindexed from 1)	T275 F402 C409
Enzyme Commision number	1.14.14.-

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	C	R101 V117 R128 G302 T305 R372 P431 F432 S433 R437 C439 F440 G441	R71 V87 R98 G272 T275 R342 P401 F402 S403 R407 C409 F410 G411
BS02	D2G	C	F107 F111 N297 G301 T305 F480	F77 F81 N267 G271 T275 F450	MOAD: Ki=800nM BindingDB: IC50=1.65e+3nM,Ki=800nM

Gene Ontology

	Molecular Function
GO:0004497	monooxygenase activity
GO:0005506	iron ion binding
GO:0005515	protein binding
GO:0008389	coumarin 7-hydroxylase activity
GO:0008392	arachidonate epoxygenase 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:0019899	enzyme binding
GO:0020037	heme binding
GO:0046872	metal ion binding

	Biological Process
GO:0006629	lipid metabolic process
GO:0006805	xenobiotic metabolic process
GO:0008202	steroid metabolic process
GO:0009804	coumarin metabolic process
GO:0019373	epoxygenase P450 pathway
GO:0042178	xenobiotic catabolic process
GO:0046226	coumarin catabolic process

	Cellular Component
GO:0005737	cytoplasm
GO:0005783	endoplasmic reticulum
GO:0005789	endoplasmic reticulum membrane
GO:0005881	cytoplasmic microtubule
GO:0016020	membrane
GO:0043231	intracellular membrane-bounded organelle

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Molecular Function

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Cellular Component

External links

PDB	RCSB:2fdv, PDBe:2fdv, PDBj:2fdv
PDBsum	2fdv
PubMed	17125252
UniProt	P11509\|CP2A6_HUMAN Cytochrome P450 2A6 (Gene Name=CYP2A6)

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