Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

4EJG

Human Cytochrome P450 2A13 in complex with Nicotine

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	0006805	biological_process	xenobiotic 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	0020037	molecular_function	heme binding
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0046222	biological_process	aflatoxin metabolic process
A	0046872	molecular_function	metal ion binding
A	0070330	molecular_function	aromatase 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	0006805	biological_process	xenobiotic 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	0020037	molecular_function	heme binding
B	0043231	cellular_component	intracellular membrane-bounded organelle
B	0046222	biological_process	aflatoxin metabolic process
B	0046872	molecular_function	metal ion binding
B	0070330	molecular_function	aromatase 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	0006805	biological_process	xenobiotic 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	0020037	molecular_function	heme binding
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0046222	biological_process	aflatoxin metabolic process
C	0046872	molecular_function	metal ion binding
C	0070330	molecular_function	aromatase 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	0006805	biological_process	xenobiotic 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	0020037	molecular_function	heme binding
D	0043231	cellular_component	intracellular membrane-bounded organelle
D	0046222	biological_process	aflatoxin metabolic process
D	0046872	molecular_function	metal ion binding
D	0070330	molecular_function	aromatase 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	0006805	biological_process	xenobiotic 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	0020037	molecular_function	heme binding
E	0043231	cellular_component	intracellular membrane-bounded organelle
E	0046222	biological_process	aflatoxin metabolic process
E	0046872	molecular_function	metal ion binding
E	0070330	molecular_function	aromatase 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	0006805	biological_process	xenobiotic 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	0020037	molecular_function	heme binding
F	0043231	cellular_component	intracellular membrane-bounded organelle
F	0046222	biological_process	aflatoxin metabolic process
F	0046872	molecular_function	metal ion binding
F	0070330	molecular_function	aromatase activity
G	0004497	molecular_function	monooxygenase activity
G	0005506	molecular_function	iron ion binding
G	0005737	cellular_component	cytoplasm
G	0005783	cellular_component	endoplasmic reticulum
G	0005789	cellular_component	endoplasmic reticulum membrane
G	0006805	biological_process	xenobiotic metabolic process
G	0008389	molecular_function	coumarin 7-hydroxylase activity
G	0008392	molecular_function	arachidonic acid epoxygenase activity
G	0009804	biological_process	coumarin metabolic process
G	0016020	cellular_component	membrane
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	0043231	cellular_component	intracellular membrane-bounded organelle
G	0046222	biological_process	aflatoxin metabolic process
G	0046872	molecular_function	metal ion binding
G	0070330	molecular_function	aromatase activity
H	0004497	molecular_function	monooxygenase activity
H	0005506	molecular_function	iron ion binding
H	0005737	cellular_component	cytoplasm
H	0005783	cellular_component	endoplasmic reticulum
H	0005789	cellular_component	endoplasmic reticulum membrane
H	0006805	biological_process	xenobiotic metabolic process
H	0008389	molecular_function	coumarin 7-hydroxylase activity
H	0008392	molecular_function	arachidonic acid epoxygenase activity
H	0009804	biological_process	coumarin metabolic process
H	0016020	cellular_component	membrane
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	0043231	cellular_component	intracellular membrane-bounded organelle
H	0046222	biological_process	aflatoxin metabolic process
H	0046872	molecular_function	metal ion binding
H	0070330	molecular_function	aromatase activity

Functional Information from PDB Data

site_id	AC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM A 500

Chain	Residue
A	ARG101
A	LEU370
A	HIS372
A	PRO431
A	PHE432
A	SER433
A	ARG437
A	CYS439
A	PHE440
A	NCT501
A	ALA117
A	ARG128
A	ALA301
A	GLY302
A	THR305
A	VAL306
A	THR309
A	LEU366

site_id	AC2
Number of Residues	4
Details	BINDING SITE FOR RESIDUE NCT A 501

Chain	Residue
A	PHE107
A	ALA301
A	THR305
A	HEM500

site_id	AC3
Number of Residues	17
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	ARG101
B	VAL116
B	ALA117
B	ARG128
B	ALA301
B	THR305
B	GLN360
B	LEU366
B	LEU370
B	HIS372
B	LEU395
B	PRO431
B	PHE432
B	SER433
B	ARG437
B	CYS439
B	PHE440

site_id	AC4
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NCT B 501

Chain	Residue
B	PHE107
B	PHE118
B	ASN297
B	PHE300
B	ALA301
B	THR305

site_id	AC5
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM C 500

Chain	Residue
C	ARG101
C	ALA117
C	ARG128
C	ALA301
C	GLY302
C	THR305
C	LEU370
C	HIS372
C	LEU395
C	PRO431
C	PHE432
C	SER433
C	ARG437
C	CYS439
C	PHE440
C	GLY441

site_id	AC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE NCT C 501

Chain	Residue
C	PHE107
C	PHE111
C	ASN297

site_id	AC7
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM D 500

Chain	Residue
D	ARG101
D	VAL116
D	ALA117
D	ARG128
D	ALA301
D	THR305
D	HIS372
D	LEU395
D	PRO431
D	PHE432
D	SER433
D	ARG437
D	CYS439
D	GLY441
D	ALA445
D	NCT501

site_id	AC8
Number of Residues	6
Details	BINDING SITE FOR RESIDUE NCT D 501

Chain	Residue
D	PHE107
D	PHE118
D	ASN297
D	ALA301
D	LEU366
D	HEM500

site_id	AC9
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM E 500

Chain	Residue
E	PHE432
E	SER433
E	ARG437
E	CYS439
E	PHE440
E	GLY441
E	ARG101
E	VAL116
E	ALA117
E	ARG128
E	LEU298
E	ALA301
E	THR305
E	THR309
E	MET365
E	LEU370
E	HIS372
E	LEU395
E	PRO431

site_id	BC1
Number of Residues	14
Details	BINDING SITE FOR RESIDUE HEM F 500

Chain	Residue
F	ARG101
F	VAL116
F	ARG128
F	GLY302
F	THR305
F	VAL306
F	THR309
F	HIS372
F	PRO431
F	PHE432
F	SER433
F	ARG437
F	CYS439
F	PHE440

site_id	BC2
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM G 500

Chain	Residue
G	ARG101
G	VAL116
G	ALA117
G	ARG128
G	ALA301
G	GLY302
G	THR305
G	GLN360
G	MET365
G	LEU370
G	HIS372
G	LEU395
G	PRO431
G	PHE432
G	SER433
G	ARG437
G	CYS439
G	PHE440

site_id	BC3
Number of Residues	16
Details	BINDING SITE FOR RESIDUE HEM H 501

Chain	Residue
H	ARG101
H	VAL116
H	ALA117
H	ARG128
H	LEU298
H	ALA301
H	GLY302
H	THR305
H	VAL306
H	THR309
H	HIS372
H	PRO431
H	PHE432
H	ARG437
H	CYS439
H	GLY441

site_id	BC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL H 502

Chain	Residue
E	THR214
E	SER215
E	THR216
H	SER215
H	THR216

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE432-GLY441

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	8
Details	BINDING:

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

site_id	SWS_FT_FI2
Number of Residues	8
Details	BINDING: axial binding residue

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

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