Structure of PDB 3ibd Chain A

Receptor sequence

>3ibdA (length=465) Species: 9606 (Homo sapiens) [Search protein sequence]

GKLPPGPRPLPLLGNLLQMDRRGLLKSFLRFREKYGDVFTVHLGPRPVVM
LCGVEAIREALVDKAEAFSGRGKIAMVDPFFRGYGVIFANGNRWKVLRRF
SVTTMRDFGMGKRSVEERIQEEAQCLIEELRKSKGALMDPTFLFQSITAN
IICSIVFGKRFHYQDQEFLKMLNLFYQTFSLISSVFGQLFELFSGFLKHF
PGAHRQVYKNLQEINAYIGHSVEKHRETLDPSAPRDLIDTYLLHMEKEKS
NAHSEFSHQNLNLNTLSLFFAGTETTSTTLRYGFLLMLKYPHVAERVYRE
IEQVIGPHRPPELHDRAKMPYTEAVIYEIQRFSDLLPMGVPHIVTQHTSF
RGYIIPKDTEVFLILSTALHDPHYFEKPDAFNPDHFLDANGALKKTEAFI
PFSLGKRICLGEGIARAELFLFFTTILQNFSMASPVAPEDIDLTPQECGV
GKIPPTYQIRFLPRH

3D structure

PDB

3ibd Crystal structure of a cytochrome P450 2B6 genetic variant in complex with the inhibitor 4-(4-chlorophenyl)imidazole at 2.0-A resolution.

Chain

Resolution

2.0 Å

3D
structure

Catalytic site residues are labeled in the structure
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Enzymatic activity

Catalytic site (original residue number in PDB)	T302 F429 C436
Catalytic site (residue number reindexed from 1)	T275 F402 C409
Enzyme Commision number	1.14.13.-

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)
BS01	HEM	A	R98 V113 I114 W121 R125 A298 G299 T302 T303 L363 V367 H369 P428 F429 S430 R434 C436 L437 G438 A442	R71 V86 I87 W94 R98 A271 G272 T275 T276 L336 V340 H342 P401 F402 S403 R407 C409 L410 G411 A415
BS02	CPZ	A	F297 A298 T302 V367	F270 A271 T275 V340
BS03	CM5	A	F188 F195 M198 F202 Y244 F296	F161 F168 M171 F175 Y217 F269
BS04	CM5	A	L43 M46 L51	L16 M19 L24

Gene Ontology

	Molecular Function
GO:0004497	monooxygenase activity
GO:0005506	iron ion binding
GO:0008390	testosterone 16-alpha-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:0020037	heme binding
GO:0046872	metal ion binding
GO:0062184	testosterone 16-beta-hydroxylase activity
GO:0062187	anandamide 8,9 epoxidase activity
GO:0062188	anandamide 11,12 epoxidase activity
GO:0062189	anandamide 14,15 epoxidase activity
GO:0101021	estrogen 2-hydroxylase activity

	Biological Process
GO:0006629	lipid metabolic process
GO:0006805	xenobiotic metabolic process
GO:0008202	steroid metabolic process
GO:0019373	epoxygenase P450 pathway
GO:0042178	xenobiotic catabolic process
GO:0042180	cellular ketone metabolic process

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

View graph for
Molecular Function

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Biological Process

View graph for
Cellular Component

External links

PDB	RCSB:3ibd, PDBe:3ibd, PDBj:3ibd
PDBsum	3ibd
PubMed	20061448
UniProt	P20813\|CP2B6_HUMAN Cytochrome P450 2B6 (Gene Name=CYP2B6)

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