Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3TBG

Human cytochrome P450 2D6 with two thioridazines bound in active site

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	0005739	cellular_component	mitochondrion
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0006631	biological_process	fatty acid metabolic process
A	0006805	biological_process	xenobiotic metabolic process
A	0008202	biological_process	steroid metabolic process
A	0008203	biological_process	cholesterol metabolic process
A	0008210	biological_process	estrogen metabolic process
A	0009804	biological_process	coumarin metabolic process
A	0009820	biological_process	alkaloid metabolic process
A	0009822	biological_process	alkaloid catabolic process
A	0016020	cellular_component	membrane
A	0016098	biological_process	monoterpenoid metabolic process
A	0016491	molecular_function	oxidoreductase activity
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	0019369	biological_process	arachidonate metabolic process
A	0020037	molecular_function	heme binding
A	0033076	biological_process	isoquinoline alkaloid metabolic process
A	0042178	biological_process	xenobiotic catabolic process
A	0042572	biological_process	retinol metabolic process
A	0042759	biological_process	long-chain fatty acid biosynthetic process
A	0043231	cellular_component	intracellular membrane-bounded organelle
A	0046872	molecular_function	metal ion binding
A	0051100	biological_process	negative regulation of binding
A	0062187	molecular_function	anandamide 8,9 epoxidase activity
A	0062188	molecular_function	anandamide 11,12 epoxidase activity
A	0062189	molecular_function	anandamide 14,15 epoxidase activity
A	0070989	biological_process	oxidative demethylation
A	0090350	biological_process	negative regulation of cellular organofluorine metabolic process
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005737	cellular_component	cytoplasm
B	0005739	cellular_component	mitochondrion
B	0005783	cellular_component	endoplasmic reticulum
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0006631	biological_process	fatty acid metabolic process
B	0006805	biological_process	xenobiotic metabolic process
B	0008202	biological_process	steroid metabolic process
B	0008203	biological_process	cholesterol metabolic process
B	0008210	biological_process	estrogen metabolic process
B	0009804	biological_process	coumarin metabolic process
B	0009820	biological_process	alkaloid metabolic process
B	0009822	biological_process	alkaloid catabolic process
B	0016020	cellular_component	membrane
B	0016098	biological_process	monoterpenoid metabolic process
B	0016491	molecular_function	oxidoreductase activity
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	0019369	biological_process	arachidonate metabolic process
B	0020037	molecular_function	heme binding
B	0033076	biological_process	isoquinoline alkaloid metabolic process
B	0042178	biological_process	xenobiotic catabolic process
B	0042572	biological_process	retinol metabolic process
B	0042759	biological_process	long-chain fatty acid biosynthetic process
B	0043231	cellular_component	intracellular membrane-bounded organelle
B	0046872	molecular_function	metal ion binding
B	0051100	biological_process	negative regulation of binding
B	0062187	molecular_function	anandamide 8,9 epoxidase activity
B	0062188	molecular_function	anandamide 11,12 epoxidase activity
B	0062189	molecular_function	anandamide 14,15 epoxidase activity
B	0070989	biological_process	oxidative demethylation
B	0090350	biological_process	negative regulation of cellular organofluorine metabolic process
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005737	cellular_component	cytoplasm
C	0005739	cellular_component	mitochondrion
C	0005783	cellular_component	endoplasmic reticulum
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0006631	biological_process	fatty acid metabolic process
C	0006805	biological_process	xenobiotic metabolic process
C	0008202	biological_process	steroid metabolic process
C	0008203	biological_process	cholesterol metabolic process
C	0008210	biological_process	estrogen metabolic process
C	0009804	biological_process	coumarin metabolic process
C	0009820	biological_process	alkaloid metabolic process
C	0009822	biological_process	alkaloid catabolic process
C	0016020	cellular_component	membrane
C	0016098	biological_process	monoterpenoid metabolic process
C	0016491	molecular_function	oxidoreductase activity
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	0019369	biological_process	arachidonate metabolic process
C	0020037	molecular_function	heme binding
C	0033076	biological_process	isoquinoline alkaloid metabolic process
C	0042178	biological_process	xenobiotic catabolic process
C	0042572	biological_process	retinol metabolic process
C	0042759	biological_process	long-chain fatty acid biosynthetic process
C	0043231	cellular_component	intracellular membrane-bounded organelle
C	0046872	molecular_function	metal ion binding
C	0051100	biological_process	negative regulation of binding
C	0062187	molecular_function	anandamide 8,9 epoxidase activity
C	0062188	molecular_function	anandamide 11,12 epoxidase activity
C	0062189	molecular_function	anandamide 14,15 epoxidase activity
C	0070989	biological_process	oxidative demethylation
C	0090350	biological_process	negative regulation of cellular organofluorine metabolic process
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0005737	cellular_component	cytoplasm
D	0005739	cellular_component	mitochondrion
D	0005783	cellular_component	endoplasmic reticulum
D	0005789	cellular_component	endoplasmic reticulum membrane
D	0006631	biological_process	fatty acid metabolic process
D	0006805	biological_process	xenobiotic metabolic process
D	0008202	biological_process	steroid metabolic process
D	0008203	biological_process	cholesterol metabolic process
D	0008210	biological_process	estrogen metabolic process
D	0009804	biological_process	coumarin metabolic process
D	0009820	biological_process	alkaloid metabolic process
D	0009822	biological_process	alkaloid catabolic process
D	0016020	cellular_component	membrane
D	0016098	biological_process	monoterpenoid metabolic process
D	0016491	molecular_function	oxidoreductase activity
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	0019369	biological_process	arachidonate metabolic process
D	0020037	molecular_function	heme binding
D	0033076	biological_process	isoquinoline alkaloid metabolic process
D	0042178	biological_process	xenobiotic catabolic process
D	0042572	biological_process	retinol metabolic process
D	0042759	biological_process	long-chain fatty acid biosynthetic process
D	0043231	cellular_component	intracellular membrane-bounded organelle
D	0046872	molecular_function	metal ion binding
D	0051100	biological_process	negative regulation of binding
D	0062187	molecular_function	anandamide 8,9 epoxidase activity
D	0062188	molecular_function	anandamide 11,12 epoxidase activity
D	0062189	molecular_function	anandamide 14,15 epoxidase activity
D	0070989	biological_process	oxidative demethylation
D	0090350	biological_process	negative regulation of cellular organofluorine metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	12
Details	BINDING SITE FOR RESIDUE RTZ A 1

Chain	Residue
A	PHE112
A	PHE483
A	HOH628
A	GOL750
A	PHE120
A	LEU121
A	GLY212
A	GLU216
A	GLN244
A	PHE247
A	ASP301
A	SER304

site_id	AC2
Number of Residues	6
Details	BINDING SITE FOR RESIDUE RTZ A 2

Chain	Residue
A	THR54
A	THR76
A	GLU222
A	GLY373
A	THR375
A	PHE483

site_id	AC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN A 600

Chain	Residue
A	CYS191
A	HIS258
A	ASP270
A	GLU273
A	GLU287

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE ZN A 601

Chain	Residue
A	ASP422
A	HIS426
C	ASP422
C	HIS426

site_id	AC5
Number of Residues	1
Details	BINDING SITE FOR RESIDUE ZN A 602

Chain	Residue
A	HIS463

site_id	AC6
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL A 750

Chain	Residue
A	RTZ1
A	LEU110
A	LEU121
A	GLU216
A	ARG221
A	LEU241
A	GLN244

site_id	AC7
Number of Residues	6
Details	BINDING SITE FOR RESIDUE GOL A 751

Chain	Residue
A	GLY176
A	ASP179
A	LYS180
A	LEU206
A	GLN210
A	HOH620

site_id	AC8
Number of Residues	5
Details	BINDING SITE FOR RESIDUE GOL A 752

Chain	Residue
A	SER137
A	THR138
A	GLU278
A	HOH587
A	HOH637

site_id	AC9
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 753

Chain	Residue
A	ARG132
A	VAL136
A	LEU444
A	HOH512

site_id	BC1
Number of Residues	3
Details	BINDING SITE FOR RESIDUE PO4 A 790

Chain	Residue
A	ASN175
A	ASP179
A	HOH570

site_id	BC2
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM A 800

Chain	Residue
A	ARG101
A	VAL119
A	PHE120
A	TRP128
A	ARG132
A	ALA305
A	GLY306
A	THR309
A	THR310
A	THR313
A	VAL374
A	HIS376
A	LEU399
A	PRO435
A	PHE436
A	SER437
A	ARG441
A	CYS443
A	LEU444
A	GLY445
A	HOH506
A	HOH614

site_id	BC3
Number of Residues	12
Details	BINDING SITE FOR RESIDUE RTZ B 1

Chain	Residue
B	RTZ2
B	PHE112
B	PHE120
B	LEU121
B	GLY212
B	LEU213
B	GLU216
B	GLN244
B	PHE247
B	ASP301
B	SER304
B	GOL750

site_id	BC4
Number of Residues	8
Details	BINDING SITE FOR RESIDUE RTZ B 2

Chain	Residue
B	RTZ1
B	LEU73
B	THR76
B	GLU222
B	GLY373
B	THR375
B	ILE396
B	PHE483

site_id	BC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN B 600

Chain	Residue
C	GLU287
B	CYS191
B	HIS258
B	ASP270
B	GLU273

site_id	BC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE GOL B 750

Chain	Residue
B	RTZ1
B	VAL104
B	LEU110
B	LEU121
B	GLU216
B	ARG221
B	LEU241
B	GLN244

site_id	BC7
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM B 800

Chain	Residue
B	ARG101
B	VAL119
B	PHE120
B	TRP128
B	ARG132
B	ALA305
B	GLY306
B	THR309
B	THR313
B	GLN364
B	VAL374
B	HIS376
B	PRO435
B	PHE436
B	SER437
B	ARG441
B	CYS443
B	LEU444
B	GLY445
B	ALA449
B	HOH510
B	HOH589

site_id	BC8
Number of Residues	11
Details	BINDING SITE FOR RESIDUE RTZ C 1

Chain	Residue
C	PHE120
C	LEU121
C	GLY212
C	LEU213
C	GLU216
C	GLN244
C	PHE247
C	ASP301
C	SER304
C	PHE483
C	GOL750

site_id	BC9
Number of Residues	7
Details	BINDING SITE FOR RESIDUE RTZ C 2

Chain	Residue
C	THR54
C	LEU73
C	THR76
C	GLU222
C	THR375
C	PHE483
C	HOH613

site_id	CC1
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN C 600

Chain	Residue
B	GLU287
C	CYS191
C	HIS258
C	ASP270
C	GLU273

site_id	CC2
Number of Residues	2
Details	BINDING SITE FOR RESIDUE ZN C 602

Chain	Residue
C	GLN341
C	HIS463

site_id	CC3
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL C 750

Chain	Residue
C	RTZ1
C	LEU110
C	LEU121
C	GLU216
C	ARG221
C	LEU241
C	GLN244

site_id	CC4
Number of Residues	22
Details	BINDING SITE FOR RESIDUE HEM C 800

Chain	Residue
C	ARG101
C	VAL119
C	PHE120
C	TRP128
C	ARG132
C	ALA305
C	GLY306
C	THR309
C	THR310
C	THR313
C	GLN364
C	VAL374
C	HIS376
C	LEU399
C	PRO435
C	SER437
C	ARG441
C	CYS443
C	LEU444
C	GLY445
C	HOH506
C	HOH608

site_id	CC5
Number of Residues	11
Details	BINDING SITE FOR RESIDUE RTZ D 1

Chain	Residue
D	PHE120
D	LEU121
D	ALA209
D	GLY212
D	LEU213
D	GLU216
D	GLN244
D	PHE247
D	ASP301
D	SER304
D	GOL750

site_id	CC6
Number of Residues	8
Details	BINDING SITE FOR RESIDUE RTZ D 2

Chain	Residue
D	THR76
D	VAL78
D	GLU216
D	GLU222
D	LEU372
D	GLY373
D	ILE396
D	PHE483

site_id	CC7
Number of Residues	5
Details	BINDING SITE FOR RESIDUE ZN D 600

Chain	Residue
D	CYS191
D	HIS258
D	ASP270
D	GLU273
D	GLU287

site_id	CC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE GOL D 750

Chain	Residue
D	RTZ1
D	LEU110
D	LEU121
D	GLU216
D	ARG221
D	LEU241
D	GLN244

site_id	CC9
Number of Residues	21
Details	BINDING SITE FOR RESIDUE HEM D 800

Chain	Residue
D	ARG101
D	VAL119
D	PHE120
D	TRP128
D	ARG132
D	ALA305
D	GLY306
D	THR309
D	THR310
D	THR313
D	VAL374
D	HIS376
D	PRO435
D	PHE436
D	SER437
D	ARG441
D	CYS443
D	LEU444
D	GLY445
D	HOH525
D	HOH587

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE436-GLY445

Functional Information from SwissProt/UniProt

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

Chain	Residue	Details
A	ASP301
B	ASP301
C	ASP301
D	ASP301

site_id	SWS_FT_FI2
Number of Residues	4
Details	BINDING: axial binding residue

Chain	Residue	Details
A	CYS443
B	CYS443
C	CYS443
D	CYS443

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