Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2P85

Structure of Human Lung Cytochrome P450 2A13 with indole bound in two alternate conformations

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	arachidonate 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
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	arachidonate 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
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	arachidonate 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
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	arachidonate 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
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	arachidonate 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
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	arachidonate 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

Functional Information from PDB Data

site_id	AC1
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM A 500

Chain	Residue
A	ARG101
A	HIS372
A	LEU395
A	PRO431
A	PHE432
A	SER433
A	ARG437
A	CYS439
A	PHE440
A	ALA445
A	IND507
A	VAL116
A	HOH614
A	HOH681
A	ALA117
A	ARG128
A	ALA301
A	THR305
A	THR309
A	MET365
A	LEU366

site_id	AC2
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IND A 501

Chain	Residue
A	PHE118
A	ASN297
A	ALA301

site_id	AC3
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IND A 507

Chain	Residue
A	PHE209
A	HEM500

site_id	AC4
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	ARG101
B	VAL116
B	ALA117
B	ARG128
B	GLY302
B	THR305
B	THR309
B	LEU366
B	HIS372
B	PRO431
B	PHE432
B	SER433
B	ARG437
B	CYS439
B	PHE440
B	GLY441
B	IND508
B	HOH721

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IND B 502

Chain	Residue
B	ASN297
B	PHE300
B	ALA301

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IND B 508

Chain	Residue
B	PHE209
B	ALA301
B	LEU366
B	HEM500
B	HOH1242

site_id	AC7
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM C 500

Chain	Residue
C	ARG101
C	VAL116
C	ALA117
C	ARG128
C	ALA301
C	THR305
C	THR309
C	MET365
C	LEU366
C	HIS372
C	PRO431
C	PHE432
C	SER433
C	ARG437
C	CYS439
C	PHE440
C	IND509
C	HOH1098
C	HOH1139

site_id	AC8
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IND C 503

Chain	Residue
C	ASN297
C	ALA301

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IND C 509

Chain	Residue
C	PHE107
C	PHE209
C	HEM500
C	HOH1243

site_id	BC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM D 500

Chain	Residue
D	ARG101
D	ALA117
D	ARG128
D	LEU298
D	ALA301
D	GLY302
D	THR305
D	THR309
D	GLN360
D	HIS372
D	PRO431
D	PHE432
D	SER433
D	ARG437
D	CYS439
D	PHE440
D	ALA445
D	IND510
D	HOH1068
D	HOH1196

site_id	BC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IND D 504

Chain	Residue
D	ASN297
D	ALA301

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IND D 510

Chain	Residue
D	PHE107
D	PHE209
D	ALA301
D	HEM500
D	HOH1244

site_id	BC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM E 500

Chain	Residue
E	ARG101
E	VAL116
E	ALA117
E	ARG128
E	ALA301
E	GLY302
E	THR305
E	THR309
E	GLN360
E	MET365
E	LEU366
E	HIS372
E	LEU395
E	PRO431
E	PHE432
E	SER433
E	ARG437
E	CYS439
E	PHE440
E	IND511
E	HOH775
E	HOH843

site_id	BC5
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IND E 505

Chain	Residue
E	ASN297
E	ALA301

site_id	BC6
Number of Residues	2
Details	BINDING SITE FOR RESIDUE IND E 511

Chain	Residue
E	PHE209
E	HEM500

site_id	BC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM F 500

Chain	Residue
F	ARG101
F	VAL116
F	ALA117
F	ARG128
F	ALA301
F	THR305
F	GLN360
F	LEU366
F	HIS372
F	PRO431
F	PHE432
F	SER433
F	ARG437
F	CYS439
F	PHE440
F	ALA445
F	IND512
F	HOH898

site_id	BC8
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IND F 506

Chain	Residue
F	PHE118
F	ASN297
F	ALA301

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE IND F 512

Chain	Residue
F	PHE209
F	HEM500
F	HOH1246

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	6
Details	BINDING:

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

site_id	SWS_FT_FI2
Number of Residues	6
Details	BINDING: axial binding residue

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

Catalytic Information from CSA

site_id	CSA1
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
A	GLU304
A	THR305

site_id	CSA2
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
B	GLU304
B	THR305

site_id	CSA3
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
C	GLU304
C	THR305

site_id	CSA4
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
D	GLU304
D	THR305

site_id	CSA5
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
E	GLU304
E	THR305

site_id	CSA6
Number of Residues	2
Details	Annotated By Reference To The Literature 1akd

Chain	Residue	Details
F	GLU304
F	THR305

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