Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5WBG

Crystal Structure of human Cytochrome P450 2B6 (Y226H/K262R) in complex with an analog of a drug Efavirenz

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0006629	biological_process	lipid metabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0008202	biological_process	steroid metabolic process
A	0008390	molecular_function	testosterone 16-alpha-hydroxylase activity
A	0008392	molecular_function	arachidonic acid epoxygenase activity
A	0016020	cellular_component	membrane
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0016712	molecular_function	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
A	0019373	biological_process	epoxygenase P450 pathway
A	0020037	molecular_function	heme binding
A	0042178	biological_process	xenobiotic catabolic process
A	0042180	biological_process	cellular ketone metabolic process
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0046872	molecular_function	metal ion binding
A	0062184	molecular_function	testosterone 16-beta-hydroxylase activity
A	0062187	molecular_function	anandamide 8,9 epoxidase activity
A	0062188	molecular_function	anandamide 11,12 epoxidase activity
A	0062189	molecular_function	anandamide 14,15 epoxidase activity
A	0101021	molecular_function	estrogen 2-hydroxylase activity
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0006629	biological_process	lipid metabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0008202	biological_process	steroid metabolic process
B	0008390	molecular_function	testosterone 16-alpha-hydroxylase activity
B	0008392	molecular_function	arachidonic acid epoxygenase activity
B	0016020	cellular_component	membrane
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0016712	molecular_function	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
B	0019373	biological_process	epoxygenase P450 pathway
B	0020037	molecular_function	heme binding
B	0042178	biological_process	xenobiotic catabolic process
B	0042180	biological_process	cellular ketone metabolic process
B	0043231	cellular_component	intracellular membrane-bounded organelle
B	0046872	molecular_function	metal ion binding
B	0062184	molecular_function	testosterone 16-beta-hydroxylase activity
B	0062187	molecular_function	anandamide 8,9 epoxidase activity
B	0062188	molecular_function	anandamide 11,12 epoxidase activity
B	0062189	molecular_function	anandamide 14,15 epoxidase activity
B	0101021	molecular_function	estrogen 2-hydroxylase activity
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005737	cellular_component	cytoplasm
C	0005783	cellular_component	endoplasmic reticulum
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0006629	biological_process	lipid metabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0008202	biological_process	steroid metabolic process
C	0008390	molecular_function	testosterone 16-alpha-hydroxylase activity
C	0008392	molecular_function	arachidonic acid epoxygenase activity
C	0016020	cellular_component	membrane
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0016712	molecular_function	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
C	0019373	biological_process	epoxygenase P450 pathway
C	0020037	molecular_function	heme binding
C	0042178	biological_process	xenobiotic catabolic process
C	0042180	biological_process	cellular ketone metabolic process
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0046872	molecular_function	metal ion binding
C	0062184	molecular_function	testosterone 16-beta-hydroxylase activity
C	0062187	molecular_function	anandamide 8,9 epoxidase activity
C	0062188	molecular_function	anandamide 11,12 epoxidase activity
C	0062189	molecular_function	anandamide 14,15 epoxidase activity
C	0101021	molecular_function	estrogen 2-hydroxylase activity
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0005737	cellular_component	cytoplasm
D	0005783	cellular_component	endoplasmic reticulum
D	0005789	cellular_component	endoplasmic reticulum membrane
D	0006629	biological_process	lipid metabolic process
D	0006805	biological_process	xenobiotic metabolic process
D	0008202	biological_process	steroid metabolic process
D	0008390	molecular_function	testosterone 16-alpha-hydroxylase activity
D	0008392	molecular_function	arachidonic acid epoxygenase activity
D	0016020	cellular_component	membrane
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0016712	molecular_function	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
D	0019373	biological_process	epoxygenase P450 pathway
D	0020037	molecular_function	heme binding
D	0042178	biological_process	xenobiotic catabolic process
D	0042180	biological_process	cellular ketone metabolic process
D	0043231	cellular_component	intracellular membrane-bounded organelle
D	0046872	molecular_function	metal ion binding
D	0062184	molecular_function	testosterone 16-beta-hydroxylase activity
D	0062187	molecular_function	anandamide 8,9 epoxidase activity
D	0062188	molecular_function	anandamide 11,12 epoxidase activity
D	0062189	molecular_function	anandamide 14,15 epoxidase activity
D	0101021	molecular_function	estrogen 2-hydroxylase activity
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0005737	cellular_component	cytoplasm
E	0005783	cellular_component	endoplasmic reticulum
E	0005789	cellular_component	endoplasmic reticulum membrane
E	0006629	biological_process	lipid metabolic process
E	0006805	biological_process	xenobiotic metabolic process
E	0008202	biological_process	steroid metabolic process
E	0008390	molecular_function	testosterone 16-alpha-hydroxylase activity
E	0008392	molecular_function	arachidonic acid epoxygenase activity
E	0016020	cellular_component	membrane
E	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
E	0016712	molecular_function	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
E	0019373	biological_process	epoxygenase P450 pathway
E	0020037	molecular_function	heme binding
E	0042178	biological_process	xenobiotic catabolic process
E	0042180	biological_process	cellular ketone metabolic process
E	0043231	cellular_component	intracellular membrane-bounded organelle
E	0046872	molecular_function	metal ion binding
E	0062184	molecular_function	testosterone 16-beta-hydroxylase activity
E	0062187	molecular_function	anandamide 8,9 epoxidase activity
E	0062188	molecular_function	anandamide 11,12 epoxidase activity
E	0062189	molecular_function	anandamide 14,15 epoxidase activity
E	0101021	molecular_function	estrogen 2-hydroxylase activity
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0005737	cellular_component	cytoplasm
F	0005783	cellular_component	endoplasmic reticulum
F	0005789	cellular_component	endoplasmic reticulum membrane
F	0006629	biological_process	lipid metabolic process
F	0006805	biological_process	xenobiotic metabolic process
F	0008202	biological_process	steroid metabolic process
F	0008390	molecular_function	testosterone 16-alpha-hydroxylase activity
F	0008392	molecular_function	arachidonic acid epoxygenase activity
F	0016020	cellular_component	membrane
F	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
F	0016712	molecular_function	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
F	0019373	biological_process	epoxygenase P450 pathway
F	0020037	molecular_function	heme binding
F	0042178	biological_process	xenobiotic catabolic process
F	0042180	biological_process	cellular ketone metabolic process
F	0043231	cellular_component	intracellular membrane-bounded organelle
F	0046872	molecular_function	metal ion binding
F	0062184	molecular_function	testosterone 16-beta-hydroxylase activity
F	0062187	molecular_function	anandamide 8,9 epoxidase activity
F	0062188	molecular_function	anandamide 11,12 epoxidase activity
F	0062189	molecular_function	anandamide 14,15 epoxidase activity
F	0101021	molecular_function	estrogen 2-hydroxylase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	16
Details	binding site for residue HEM A 501

Chain	Residue
A	ARG98
A	PHE429
A	SER430
A	ARG434
A	CYS436
A	LEU437
A	GLY438
A	9ZJ502
A	ILE114
A	TRP121
A	ARG125
A	ALA298
A	THR302
A	GLN357
A	HIS369
A	PRO428

site_id	AC2
Number of Residues	10
Details	binding site for residue 9ZJ A 502

Chain	Residue
A	ILE101
A	PHE108
A	ILE114
A	PHE115
A	PHE206
A	ALA298
A	THR302
A	LEU363
A	VAL477
A	HEM501

site_id	AC3
Number of Residues	3
Details	binding site for residue ZAZ A 503

Chain	Residue
A	PHE220
A	PHE223
F	CM5502

site_id	AC4
Number of Residues	17
Details	binding site for residue HEM B 501

Chain	Residue
B	ARG98
B	VAL113
B	TRP121
B	ARG125
B	ALA298
B	THR302
B	THR306
B	HIS369
B	LEU392
B	PRO428
B	PHE429
B	SER430
B	ARG434
B	CYS436
B	GLY438
B	9ZJ502
B	HOH611

site_id	AC5
Number of Residues	12
Details	binding site for residue 9ZJ B 502

Chain	Residue
B	ILE101
B	PHE108
B	ILE114
B	PHE115
B	PHE206
B	ALA298
B	GLU301
B	THR302
B	LEU363
B	VAL367
B	VAL477
B	HEM501

site_id	AC6
Number of Residues	4
Details	binding site for residue CM5 B 503

Chain	Residue
B	PHE220
B	GLY222
B	PHE223
E	CM5503

site_id	AC7
Number of Residues	18
Details	binding site for residue HEM C 501

Chain	Residue
C	ARG98
C	ILE114
C	TRP121
C	ARG125
C	MET132
C	ALA298
C	GLY299
C	THR302
C	THR303
C	THR306
C	HIS369
C	PRO428
C	PHE429
C	SER430
C	ARG434
C	CYS436
C	LEU437
C	9ZJ502

site_id	AC8
Number of Residues	12
Details	binding site for residue 9ZJ C 502

Chain	Residue
C	ILE101
C	PHE108
C	ILE114
C	PHE115
C	PHE206
C	PHE297
C	ALA298
C	GLU301
C	THR302
C	LEU363
C	VAL477
C	HEM501

site_id	AC9
Number of Residues	6
Details	binding site for residue CM5 C 503

Chain	Residue
C	LEU39
C	LEU216
C	PHE220
C	PHE223
C	HOH605
D	CM5503

site_id	AD1
Number of Residues	16
Details	binding site for residue HEM D 501

Chain	Residue
D	TRP121
D	ARG125
D	ALA298
D	GLY299
D	THR302
D	HIS369
D	PRO428
D	PHE429
D	SER430
D	ARG434
D	CYS436
D	LEU437
D	GLY438
D	ALA442
D	9ZJ502
D	ARG98

site_id	AD2
Number of Residues	11
Details	binding site for residue 9ZJ D 502

Chain	Residue
D	ILE101
D	PHE108
D	ILE114
D	PHE115
D	PHE206
D	ALA298
D	GLU301
D	LEU363
D	VAL367
D	VAL477
D	HEM501

site_id	AD3
Number of Residues	3
Details	binding site for residue CM5 D 503

Chain	Residue
C	CM5503
D	PHE220
D	PHE223

site_id	AD4
Number of Residues	17
Details	binding site for residue HEM E 501

Chain	Residue
E	ARG98
E	TRP121
E	ARG125
E	ILE179
E	ALA298
E	GLY299
E	THR302
E	THR306
E	HIS369
E	PRO428
E	PHE429
E	SER430
E	ARG434
E	CYS436
E	LEU437
E	GLY438
E	9ZJ502

site_id	AD5
Number of Residues	11
Details	binding site for residue 9ZJ E 502

Chain	Residue
E	ILE101
E	PHE108
E	ILE114
E	PHE115
E	PHE206
E	ALA298
E	GLU301
E	LEU363
E	VAL367
E	VAL477
E	HEM501

site_id	AD6
Number of Residues	4
Details	binding site for residue CM5 E 503

Chain	Residue
B	CM5503
E	LEU216
E	PHE220
E	PHE223

site_id	AD7
Number of Residues	14
Details	binding site for residue HEM F 501

Chain	Residue
F	ARG98
F	TRP121
F	ARG125
F	ALA298
F	THR302
F	HIS369
F	PRO428
F	PHE429
F	SER430
F	ARG434
F	CYS436
F	LEU437
F	GLY438
F	9ZJ503

site_id	AD8
Number of Residues	4
Details	binding site for residue CM5 F 502

Chain	Residue
A	ZAZ503
F	PRO72
F	PHE220
F	PHE223

site_id	AD9
Number of Residues	11
Details	binding site for residue 9ZJ F 503

Chain	Residue
F	ILE101
F	PHE108
F	ILE114
F	PHE115
F	PHE206
F	ALA298
F	GLU301
F	THR302
F	VAL367
F	VAL477
F	HEM501

Functional Information from PROSITE/UniProt

site_id	PS00086
Number of Residues	10
Details	CYTOCHROME_P450 Cytochrome P450 cysteine heme-iron ligand signature. FSlGKRICLG

Chain	Residue	Details
A	PHE429-GLY438

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: axial binding residue

Chain	Residue	Details
A	CYS436
B	CYS436
C	CYS436
D	CYS436
E	CYS436
F	CYS436

site_id	SWS_FT_FI2
Number of Residues	6
Details	MOD_RES: Phosphoserine; by PKA => ECO:0000250

Chain	Residue	Details
A	SER128
B	SER128
C	SER128
D	SER128
E	SER128
F	SER128

		Sequence (fasta)
		PDBx/mmCIF
		PDBML format (no-atom)
		PDB format (full)
		Validation report (PDF)
		EDMap 2fo-fc (MTZ)