Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

2FDV

Microsomal P450 2A6 with the inhibitor N-Methyl(5-(pyridin-3-yl)furan-2-yl)methanamine 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	0005789	cellular_component	endoplasmic reticulum membrane
A	0005881	cellular_component	cytoplasmic microtubule
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	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	0046226	biological_process	coumarin catabolic process
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	0005789	cellular_component	endoplasmic reticulum membrane
B	0005881	cellular_component	cytoplasmic microtubule
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	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	0046226	biological_process	coumarin catabolic process
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	0005789	cellular_component	endoplasmic reticulum membrane
C	0005881	cellular_component	cytoplasmic microtubule
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	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	0046226	biological_process	coumarin catabolic process
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	0005789	cellular_component	endoplasmic reticulum membrane
D	0005881	cellular_component	cytoplasmic microtubule
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	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	0046226	biological_process	coumarin catabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 2502

Chain	Residue
A	ARG136
A	GLY141
A	HOH2673
A	HOH2815
A	HOH2820

site_id	AC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 A 2503

Chain	Residue
A	HOH2871
A	ARG129
A	HOH2553
A	HOH2704
A	HOH2816

site_id	AC3
Number of Residues	8
Details	BINDING SITE FOR RESIDUE SO4 A 2504

Chain	Residue
A	THR214
A	SER215
A	THR216
A	HOH2529
A	HOH2530
A	HOH2767
B	THR216
B	PRO233

site_id	AC4
Number of Residues	5
Details	BINDING SITE FOR RESIDUE SO4 B 2506

Chain	Residue
B	ARG136
B	GLY141
B	HOH2597
B	HOH2628
B	HOH2746

site_id	AC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE SO4 C 2508

Chain	Residue
C	ARG136
C	HOH2706
C	HOH2858

site_id	AC6
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM A 500

Chain	Residue
A	ARG101
A	VAL116
A	VAL117
A	ARG128
A	GLY301
A	GLY302
A	THR305
A	THR309
A	SER369
A	ARG372
A	LEU395
A	PRO431
A	PHE432
A	SER433
A	ARG437
A	CYS439
A	PHE440
A	GLY441
A	D2G501
A	HOH2508
A	HOH2509

site_id	AC7
Number of Residues	9
Details	BINDING SITE FOR RESIDUE D2G A 501

Chain	Residue
A	PHE107
A	PHE111
A	PHE209
A	ASN297
A	ILE300
A	GLY301
A	THR305
A	PHE480
A	HEM500

site_id	AC8
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	ARG101
B	VAL116
B	VAL117
B	ARG128
B	THR305
B	THR309
B	SER369
B	ARG372
B	PRO431
B	PHE432
B	SER433
B	ARG437
B	ASN438
B	CYS439
B	PHE440
B	GLY441
B	D2G501
B	HOH2510
B	HOH2517

site_id	AC9
Number of Residues	8
Details	BINDING SITE FOR RESIDUE D2G B 501

Chain	Residue
B	PHE107
B	PHE111
B	PHE209
B	ASN297
B	GLY301
B	THR305
B	PHE480
B	HEM500

site_id	BC1
Number of Residues	19
Details	BINDING SITE FOR RESIDUE HEM C 500

Chain	Residue
C	D2G501
C	HOH2514
C	HOH2559
C	ARG101
C	VAL117
C	ARG128
C	GLY302
C	THR305
C	THR309
C	GLN360
C	ARG372
C	LEU395
C	PRO431
C	PHE432
C	SER433
C	ARG437
C	CYS439
C	PHE440
C	GLY441

site_id	BC2
Number of Residues	8
Details	BINDING SITE FOR RESIDUE D2G C 501

Chain	Residue
C	PHE107
C	PHE111
C	PHE209
C	ASN297
C	GLY301
C	THR305
C	PHE480
C	HEM500

site_id	BC3
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM D 500

Chain	Residue
D	ARG101
D	VAL117
D	ARG128
D	GLY302
D	THR305
D	THR309
D	GLN360
D	SER369
D	ARG372
D	LEU395
D	PRO431
D	PHE432
D	SER433
D	ARG437
D	CYS439
D	PHE440
D	GLY441
D	LEU444
D	D2G501
D	HOH2010
D	HOH2076

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE D2G D 501

Chain	Residue
D	PHE107
D	PHE111
D	PHE209
D	ASN297
D	GLY301
D	THR305
D	PHE480
D	HEM500

site_id	BC5
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 2001

Chain	Residue
C	THR38
C	PRO39
C	LEU40

site_id	BC6
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 2002

Chain	Residue
C	PRO37
C	ARG64
C	TYR65

site_id	BC7
Number of Residues	2
Details	BINDING SITE FOR RESIDUE EDO A 2003

Chain	Residue
A	ASP85
A	PHE404

site_id	BC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE EDO C 2004

Chain	Residue
C	GLU103
C	GLN104
C	ASP108
C	LYS112
C	GLY113
C	PHE118
C	HOH2808

site_id	BC9
Number of Residues	3
Details	BINDING SITE FOR RESIDUE EDO C 2005

Chain	Residue
C	ARG88
C	ASP427
C	HOH2565

site_id	CC1
Number of Residues	4
Details	BINDING SITE FOR RESIDUE EDO C 2006

Chain	Residue
C	GLN210
C	LYS476
C	ASN486
C	HOH2606

site_id	CC2
Number of Residues	5
Details	BINDING SITE FOR RESIDUE EDO D 2007

Chain	Residue
D	LYS319
D	HIS320
D	ASP410
D	PHE411
D	VAL473

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 site: {"evidences":[{"evidenceCode":"ECO:0000305"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {}

Chain

Residue

Details

site_id	SWS_FT_FI3
Number of Residues	4
Details	Binding site: {"description":"axial binding residue"}

Chain

Residue

Details

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)