3R1A

Closed crystal structure of cytochrome P450 2B4 covalently bound to the mechanism-based inactivator tert-butylphenylacetylene

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	0005789	cellular_component	endoplasmic reticulum membrane
A	0006082	biological_process	organic acid metabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0008392	molecular_function	arachidonate epoxygenase activity
A	0016491	molecular_function	oxidoreductase activity
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	0046872	molecular_function	metal ion binding
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005737	cellular_component	cytoplasm
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0006082	biological_process	organic acid metabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0008392	molecular_function	arachidonate epoxygenase activity
B	0016491	molecular_function	oxidoreductase activity
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	0046872	molecular_function	metal ion binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005737	cellular_component	cytoplasm
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0006082	biological_process	organic acid metabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0008392	molecular_function	arachidonate epoxygenase activity
C	0016491	molecular_function	oxidoreductase activity
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	0046872	molecular_function	metal ion binding
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0005737	cellular_component	cytoplasm
D	0005789	cellular_component	endoplasmic reticulum membrane
D	0006082	biological_process	organic acid metabolic process
D	0006805	biological_process	xenobiotic metabolic process
D	0008392	molecular_function	arachidonate epoxygenase activity
D	0016491	molecular_function	oxidoreductase activity
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	0046872	molecular_function	metal ion binding
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0005737	cellular_component	cytoplasm
E	0005789	cellular_component	endoplasmic reticulum membrane
E	0006082	biological_process	organic acid metabolic process
E	0006805	biological_process	xenobiotic metabolic process
E	0008392	molecular_function	arachidonate epoxygenase activity
E	0016491	molecular_function	oxidoreductase activity
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	0046872	molecular_function	metal ion binding
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0005737	cellular_component	cytoplasm
F	0005789	cellular_component	endoplasmic reticulum membrane
F	0006082	biological_process	organic acid metabolic process
F	0006805	biological_process	xenobiotic metabolic process
F	0008392	molecular_function	arachidonate epoxygenase activity
F	0016491	molecular_function	oxidoreductase activity
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	0046872	molecular_function	metal ion binding
G	0004497	molecular_function	monooxygenase activity
G	0005506	molecular_function	iron ion binding
G	0005737	cellular_component	cytoplasm
G	0005789	cellular_component	endoplasmic reticulum membrane
G	0006082	biological_process	organic acid metabolic process
G	0006805	biological_process	xenobiotic metabolic process
G	0008392	molecular_function	arachidonate epoxygenase activity
G	0016491	molecular_function	oxidoreductase activity
G	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
G	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
G	0019373	biological_process	epoxygenase P450 pathway
G	0020037	molecular_function	heme binding
G	0046872	molecular_function	metal ion binding
H	0004497	molecular_function	monooxygenase activity
H	0005506	molecular_function	iron ion binding
H	0005737	cellular_component	cytoplasm
H	0005789	cellular_component	endoplasmic reticulum membrane
H	0006082	biological_process	organic acid metabolic process
H	0006805	biological_process	xenobiotic metabolic process
H	0008392	molecular_function	arachidonate epoxygenase activity
H	0016491	molecular_function	oxidoreductase activity
H	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
H	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
H	0019373	biological_process	epoxygenase P450 pathway
H	0020037	molecular_function	heme binding
H	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM A 500

Chain	Residue
A	ARG98
A	THR302
A	THR303
A	THR306
A	VAL367
A	HIS369
A	PRO428
A	PHE429
A	SER430
A	ARG434
A	CYS436
A	VAL113
A	LEU437
A	GLY438
A	ALA442
A	ILE114
A	TRP121
A	ARG125
A	ILE179
A	LEU295
A	ALA298
A	GLY299

---

site_id	AC2
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TB2 A 501

Chain	Residue
A	HOH1
A	PHE115
A	PHE206
A	PHE297
A	ALA298
A	GLU301
A	THR302

---

site_id	AC3
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	HOH2
B	ARG98
B	ILE114
B	TRP121
B	ARG125
B	LEU295
B	GLY299
B	THR302
B	THR303
B	VAL367
B	HIS369
B	PRO428
B	PHE429
B	SER430
B	ARG434
B	ILE435
B	CYS436
B	LEU437
B	GLY438
B	ALA442

---

site_id	AC4
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TB2 B 501

Chain	Residue
B	HOH2
B	PHE115
B	PHE206
B	PHE297
B	ALA298
B	GLU301
B	THR302

---

site_id	AC5
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM C 500

Chain	Residue
C	ARG98
C	VAL113
C	ILE114
C	TRP121
C	ARG125
C	ILE179
C	ALA298
C	GLY299
C	THR302
C	THR303
C	THR306
C	VAL367
C	HIS369
C	PRO428
C	SER430
C	ARG434
C	ILE435
C	CYS436
C	LEU437
C	GLY438
C	ILE441

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE TB2 C 501

Chain	Residue
C	HOH4
C	PHE115
C	PHE206
C	PHE297
C	THR302

---

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM D 500

Chain	Residue
D	GLY438
D	ARG98
D	ILE114
D	TRP121
D	ARG125
D	ALA298
D	THR302
D	THR303
D	THR306
D	GLN357
D	VAL367
D	HIS369
D	PRO428
D	PHE429
D	SER430
D	ARG434
D	CYS436
D	LEU437

---

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE TB2 D 501

Chain	Residue
D	HOH3
D	VAL104
D	PHE115
D	PHE206
D	PHE297
D	ALA298
D	THR302

---

site_id	AC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM E 500

Chain	Residue
E	HOH5
E	ARG98
E	VAL113
E	ILE114
E	TRP121
E	ARG125
E	LEU295
E	GLY299
E	THR302
E	THR303
E	ILE363
E	VAL367
E	HIS369
E	PRO428
E	PHE429
E	SER430
E	ARG434
E	CYS436
E	LEU437
E	GLY438
E	ALA442

---

site_id	BC1
Number of Residues	6
Details	BINDING SITE FOR RESIDUE TB2 E 501

Chain	Residue
E	ILE114
E	PHE115
E	PHE206
E	PHE297
E	ALA298
E	THR302

---

site_id	BC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM F 500

Chain	Residue
F	ARG98
F	VAL113
F	ILE114
F	TRP121
F	ARG125
F	ILE179
F	LEU295
F	GLY299
F	THR302
F	THR303
F	GLN357
F	VAL367
F	HIS369
F	LEU392
F	PRO428
F	PHE429
F	SER430
F	ARG434
F	CYS436
F	LEU437
F	GLY438
F	ALA442

---

site_id	BC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE TB2 F 501

Chain	Residue
F	PHE115
F	PHE206
F	ALA298
F	THR302

---

site_id	BC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM G 500

Chain	Residue
G	HOH7
G	ARG98
G	VAL113
G	TRP121
G	ARG125
G	ILE179
G	ALA298
G	GLY299
G	THR302
G	THR303
G	THR306
G	VAL367
G	HIS369
G	PRO428
G	PHE429
G	SER430
G	ARG434
G	CYS436
G	LEU437
G	GLY438

---

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE TB2 G 501

Chain	Residue
G	PHE206
G	PHE297
G	THR302

---

site_id	BC6
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM H 500

Chain	Residue
H	ARG98
H	TRP121
H	ARG125
H	ILE179
H	ALA298
H	GLY299
H	THR302
H	THR303
H	THR306
H	VAL367
H	HIS369
H	PRO428
H	SER430
H	ARG434
H	CYS436
H	LEU437
H	GLY438

---

site_id	BC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE TB2 H 501

Chain	Residue
H	HOH8
H	ILE114
H	PHE297
H	ALA298
H	GLU301
H	THR302

---

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	8
Details	Binding site: {"description":"axial binding residue"}

Chain

Residue

Details

---

site_id	SWS_FT_FI2
Number of Residues	8
Details	Modified residue: {"description":"Phosphoserine; by PKA","evidences":[{"source":"UniProtKB","id":"P00176","evidenceCode":"ECO:0000250"}]}

Chain

Residue

Details

---