4RUI

Crystal structure of a cytochrome P450 2A6 in complex with a monoterpene - sabinene.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0005515	molecular_function	protein binding
A	0005737	cellular_component	cytoplasm
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0005881	cellular_component	cytoplasmic microtubule
A	0006629	biological_process	lipid metabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0008202	biological_process	steroid metabolic process
A	0008389	molecular_function	coumarin 7-hydroxylase activity
A	0008392	molecular_function	arachidonic acid epoxygenase activity
A	0009804	biological_process	coumarin metabolic process
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	0019899	molecular_function	enzyme binding
A	0020037	molecular_function	heme binding
A	0042178	biological_process	xenobiotic catabolic process
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0046226	biological_process	coumarin catabolic process
A	0046872	molecular_function	metal ion binding
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005515	molecular_function	protein binding
B	0005737	cellular_component	cytoplasm
B	0005783	cellular_component	endoplasmic reticulum
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0005881	cellular_component	cytoplasmic microtubule
B	0006629	biological_process	lipid metabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0008202	biological_process	steroid metabolic process
B	0008389	molecular_function	coumarin 7-hydroxylase activity
B	0008392	molecular_function	arachidonic acid epoxygenase activity
B	0009804	biological_process	coumarin metabolic process
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	0019899	molecular_function	enzyme binding
B	0020037	molecular_function	heme binding
B	0042178	biological_process	xenobiotic catabolic process
B	0043231	cellular_component	intracellular membrane-bounded organelle
B	0046226	biological_process	coumarin catabolic process
B	0046872	molecular_function	metal ion binding
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005515	molecular_function	protein binding
C	0005737	cellular_component	cytoplasm
C	0005783	cellular_component	endoplasmic reticulum
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0005881	cellular_component	cytoplasmic microtubule
C	0006629	biological_process	lipid metabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0008202	biological_process	steroid metabolic process
C	0008389	molecular_function	coumarin 7-hydroxylase activity
C	0008392	molecular_function	arachidonic acid epoxygenase activity
C	0009804	biological_process	coumarin metabolic process
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	0019899	molecular_function	enzyme binding
C	0020037	molecular_function	heme binding
C	0042178	biological_process	xenobiotic catabolic process
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0046226	biological_process	coumarin catabolic process
C	0046872	molecular_function	metal ion binding
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0005515	molecular_function	protein binding
D	0005737	cellular_component	cytoplasm
D	0005783	cellular_component	endoplasmic reticulum
D	0005789	cellular_component	endoplasmic reticulum membrane
D	0005881	cellular_component	cytoplasmic microtubule
D	0006629	biological_process	lipid metabolic process
D	0006805	biological_process	xenobiotic metabolic process
D	0008202	biological_process	steroid metabolic process
D	0008389	molecular_function	coumarin 7-hydroxylase activity
D	0008392	molecular_function	arachidonic acid epoxygenase activity
D	0009804	biological_process	coumarin metabolic process
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	0019899	molecular_function	enzyme binding
D	0020037	molecular_function	heme binding
D	0042178	biological_process	xenobiotic catabolic process
D	0043231	cellular_component	intracellular membrane-bounded organelle
D	0046226	biological_process	coumarin catabolic process
D	0046872	molecular_function	metal ion binding
E	0004497	molecular_function	monooxygenase activity
E	0005506	molecular_function	iron ion binding
E	0005515	molecular_function	protein binding
E	0005737	cellular_component	cytoplasm
E	0005783	cellular_component	endoplasmic reticulum
E	0005789	cellular_component	endoplasmic reticulum membrane
E	0005881	cellular_component	cytoplasmic microtubule
E	0006629	biological_process	lipid metabolic process
E	0006805	biological_process	xenobiotic metabolic process
E	0008202	biological_process	steroid metabolic process
E	0008389	molecular_function	coumarin 7-hydroxylase activity
E	0008392	molecular_function	arachidonic acid epoxygenase activity
E	0009804	biological_process	coumarin metabolic process
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	0019899	molecular_function	enzyme binding
E	0020037	molecular_function	heme binding
E	0042178	biological_process	xenobiotic catabolic process
E	0043231	cellular_component	intracellular membrane-bounded organelle
E	0046226	biological_process	coumarin catabolic process
E	0046872	molecular_function	metal ion binding
F	0004497	molecular_function	monooxygenase activity
F	0005506	molecular_function	iron ion binding
F	0005515	molecular_function	protein binding
F	0005737	cellular_component	cytoplasm
F	0005783	cellular_component	endoplasmic reticulum
F	0005789	cellular_component	endoplasmic reticulum membrane
F	0005881	cellular_component	cytoplasmic microtubule
F	0006629	biological_process	lipid metabolic process
F	0006805	biological_process	xenobiotic metabolic process
F	0008202	biological_process	steroid metabolic process
F	0008389	molecular_function	coumarin 7-hydroxylase activity
F	0008392	molecular_function	arachidonic acid epoxygenase activity
F	0009804	biological_process	coumarin metabolic process
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	0019899	molecular_function	enzyme binding
F	0020037	molecular_function	heme binding
F	0042178	biological_process	xenobiotic catabolic process
F	0043231	cellular_component	intracellular membrane-bounded organelle
F	0046226	biological_process	coumarin catabolic process
F	0046872	molecular_function	metal ion binding

Functional Information from PDB Data

site_id	AC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM D 501

Chain	Residue
D	ARG101
D	ARG372
D	PRO431
D	PHE432
D	SER433
D	ARG437
D	CYS439
D	PHE440
D	GLY441
D	LEU444
D	SNE502
D	ARG128
D	GLY301
D	GLY302
D	THR305
D	THR309
D	GLN360
D	SER369
D	LEU370

---

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SNE D 502

Chain	Residue
D	PHE107
D	PHE209
D	ASN297
D	ILE300
D	LEU370
D	HEM501

---

site_id	AC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SNE A 501

Chain	Residue
A	PHE107
A	PHE209
A	GLY301
A	LEU370
A	PHE480
A	HEM502

---

site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM A 502

Chain	Residue
A	ARG101
A	ARG128
A	ILE182
A	GLY301
A	GLY302
A	THR305
A	VAL306
A	THR309
A	ILE366
A	SER369
A	ARG372
A	PRO431
A	PHE432
A	SER433
A	ARG437
A	CYS439
A	PHE440
A	GLY441
A	LEU444
A	SNE501

---

site_id	AC5
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM B 501

Chain	Residue
B	ARG101
B	VAL116
B	VAL117
B	ARG128
B	GLY301
B	GLY302
B	THR305
B	VAL306
B	GLN360
B	SER369
B	ARG372
B	PRO431
B	PHE432
B	SER433
B	ARG437
B	CYS439
B	PHE440
B	GLY441
B	LEU444

---

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SNE B 502

Chain	Residue
B	PHE107
B	PHE209
B	ASN297
B	GLY301
B	LEU370

---

site_id	AC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM C 501

Chain	Residue
C	ARG101
C	VAL116
C	VAL117
C	ARG128
C	GLY301
C	GLY302
C	THR305
C	VAL306
C	THR309
C	SER369
C	LEU370
C	ARG372
C	PRO431
C	PHE432
C	SER433
C	ARG437
C	CYS439
C	PHE440
C	GLY441
C	LEU444

---

site_id	AC8
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SNE C 502

Chain	Residue
C	GLY301
C	THR305
C	LEU370
C	PHE480
C	PHE107
C	PHE118
C	PHE209
C	ILE300

---

site_id	AC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM E 501

Chain	Residue
E	ARG101
E	VAL116
E	ARG128
E	LEU298
E	GLY301
E	GLY302
E	THR305
E	GLN360
E	SER369
E	LEU370
E	ARG372
E	PRO431
E	PHE432
E	SER433
E	ARG437
E	ASN438
E	CYS439
E	PHE440
E	GLY441
E	LEU444
E	SNE502

---

site_id	BC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SNE E 502

Chain	Residue
E	PHE107
E	PHE118
E	PHE209
E	LEU370
E	HEM501

---

site_id	BC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM F 501

Chain	Residue
F	ARG101
F	VAL116
F	VAL117
F	ARG128
F	ILE182
F	GLY301
F	GLY302
F	THR305
F	THR309
F	GLN360
F	SER369
F	LEU370
F	ARG372
F	PRO431
F	PHE432
F	SER433
F	ARG437
F	CYS439
F	PHE440
F	GLY441
F	LEU444
F	SNE502

---

site_id	BC3
Number of Residues	6
Details	BINDING SITE FOR RESIDUE SNE F 502

Chain	Residue
F	PHE107
F	PHE209
F	ASN297
F	ILE300
F	LEU370
F	HEM501

---

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
D	PHE432-GLY441

---

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	6
Details	BINDING: BINDING => ECO:0000305

Chain	Residue	Details
D	PHE107
A	PHE107
B	PHE107
C	PHE107
E	PHE107
F	PHE107

---

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING:

Chain	Residue	Details
D	ASN297
A	ASN297
B	ASN297
C	ASN297
E	ASN297
F	ASN297

---

site_id	SWS_FT_FI3
Number of Residues	6
Details	BINDING: axial binding residue

Chain	Residue	Details
D	CYS439
A	CYS439
B	CYS439
C	CYS439
E	CYS439
F	CYS439

---