Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

1Z10

Crystal Structure of Human Microsomal P450 2A6 with Coumarin Bound

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	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	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	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	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	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	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	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	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

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	ARG372
A	PRO431
A	PHE432
A	SER433
A	ARG437
A	ASN438
A	CYS439
A	PHE440
A	GLY441
A	COU501
A	VAL116
A	HOH505
A	HOH508
A	VAL117
A	ARG128
A	GLY301
A	GLY302
A	THR305
A	THR309
A	LEU370

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

Chain	Residue
A	ASN297
A	GLY301
A	THR305
A	HEM500

site_id	AC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	ARG101
B	VAL116
B	VAL117
B	ARG128
B	GLY301
B	GLY302
B	THR305
B	THR309
B	GLN360
B	ARG372
B	LEU395
B	PRO431
B	PHE432
B	SER433
B	ARG437
B	CYS439
B	PHE440
B	GLY441
B	COU501
B	HOH905
B	HOH932

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE COU B 501

Chain	Residue
B	ASN297
B	GLY301
B	PHE480
B	HEM500

site_id	AC5
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM C 500

Chain	Residue
C	ARG101
C	VAL117
C	ARG128
C	GLY301
C	GLY302
C	THR305
C	THR309
C	LEU370
C	ARG372
C	LEU395
C	PRO431
C	PHE432
C	SER433
C	ARG437
C	CYS439
C	PHE440
C	GLY441
C	COU501
C	HOH507
C	HOH575

site_id	AC6
Number of Residues	4
Details	BINDING SITE FOR RESIDUE COU C 501

Chain	Residue
C	ASN297
C	GLY301
C	PHE480
C	HEM500

site_id	AC7
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM D 500

Chain	Residue
D	ARG101
D	VAL116
D	VAL117
D	ARG128
D	GLY301
D	GLY302
D	THR305
D	THR309
D	GLN360
D	ARG372
D	LEU395
D	PRO431
D	PHE432
D	SER433
D	ARG437
D	CYS439
D	PHE440
D	GLY441
D	COU501
D	HOH520

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

Chain	Residue
D	HEM500
D	PHE107
D	PHE111
D	ASN297
D	GLY301
D	PHE480

site_id	AC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL B 900

Chain	Residue
B	GLU103
B	MET368
B	SER369
B	LEU370
B	ALA371
B	TYR392
B	HOH947

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
A	PHE432-GLY441

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: BINDING => ECO:0000305

Chain	Residue	Details
A	PHE107
B	PHE107
C	PHE107
D	PHE107

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING:

Chain	Residue	Details
A	ASN297
B	ASN297
C	ASN297
D	ASN297

site_id	SWS_FT_FI3
Number of Residues	4
Details	BINDING: axial binding residue

Chain	Residue	Details
A	CYS439
B	CYS439
C	CYS439
D	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

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