Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

5IRQ

Human cytochrome P450 17A1 bound to inhibitors (R)- and (S)- orteronel

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0004508	molecular_function	steroid 17-alpha-monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0005783	cellular_component	endoplasmic reticulum
A	0005789	cellular_component	endoplasmic reticulum membrane
A	0006629	biological_process	lipid metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0006702	biological_process	androgen biosynthetic process
A	0006704	biological_process	glucocorticoid biosynthetic process
A	0007548	biological_process	sex differentiation
A	0008202	biological_process	steroid metabolic process
A	0008395	molecular_function	steroid hydroxylase activity
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	0016829	molecular_function	lyase activity
A	0019825	molecular_function	oxygen binding
A	0020037	molecular_function	heme binding
A	0030424	cellular_component	axon
A	0034651	biological_process	cortisol biosynthetic process
A	0042445	biological_process	hormone metabolic process
A	0042446	biological_process	hormone biosynthetic process
A	0042448	biological_process	progesterone metabolic process
A	0043025	cellular_component	neuronal cell body
A	0046872	molecular_function	metal ion binding
A	0120254	biological_process	olefinic compound metabolic process
B	0004497	molecular_function	monooxygenase activity
B	0004508	molecular_function	steroid 17-alpha-monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005783	cellular_component	endoplasmic reticulum
B	0005789	cellular_component	endoplasmic reticulum membrane
B	0006629	biological_process	lipid metabolic process
B	0006694	biological_process	steroid biosynthetic process
B	0006702	biological_process	androgen biosynthetic process
B	0006704	biological_process	glucocorticoid biosynthetic process
B	0007548	biological_process	sex differentiation
B	0008202	biological_process	steroid metabolic process
B	0008395	molecular_function	steroid hydroxylase activity
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	0016829	molecular_function	lyase activity
B	0019825	molecular_function	oxygen binding
B	0020037	molecular_function	heme binding
B	0030424	cellular_component	axon
B	0034651	biological_process	cortisol biosynthetic process
B	0042445	biological_process	hormone metabolic process
B	0042446	biological_process	hormone biosynthetic process
B	0042448	biological_process	progesterone metabolic process
B	0043025	cellular_component	neuronal cell body
B	0046872	molecular_function	metal ion binding
B	0120254	biological_process	olefinic compound metabolic process
C	0004497	molecular_function	monooxygenase activity
C	0004508	molecular_function	steroid 17-alpha-monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005783	cellular_component	endoplasmic reticulum
C	0005789	cellular_component	endoplasmic reticulum membrane
C	0006629	biological_process	lipid metabolic process
C	0006694	biological_process	steroid biosynthetic process
C	0006702	biological_process	androgen biosynthetic process
C	0006704	biological_process	glucocorticoid biosynthetic process
C	0007548	biological_process	sex differentiation
C	0008202	biological_process	steroid metabolic process
C	0008395	molecular_function	steroid hydroxylase activity
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	0016829	molecular_function	lyase activity
C	0019825	molecular_function	oxygen binding
C	0020037	molecular_function	heme binding
C	0030424	cellular_component	axon
C	0034651	biological_process	cortisol biosynthetic process
C	0042445	biological_process	hormone metabolic process
C	0042446	biological_process	hormone biosynthetic process
C	0042448	biological_process	progesterone metabolic process
C	0043025	cellular_component	neuronal cell body
C	0046872	molecular_function	metal ion binding
C	0120254	biological_process	olefinic compound metabolic process
D	0004497	molecular_function	monooxygenase activity
D	0004508	molecular_function	steroid 17-alpha-monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0005783	cellular_component	endoplasmic reticulum
D	0005789	cellular_component	endoplasmic reticulum membrane
D	0006629	biological_process	lipid metabolic process
D	0006694	biological_process	steroid biosynthetic process
D	0006702	biological_process	androgen biosynthetic process
D	0006704	biological_process	glucocorticoid biosynthetic process
D	0007548	biological_process	sex differentiation
D	0008202	biological_process	steroid metabolic process
D	0008395	molecular_function	steroid hydroxylase activity
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	0016829	molecular_function	lyase activity
D	0019825	molecular_function	oxygen binding
D	0020037	molecular_function	heme binding
D	0030424	cellular_component	axon
D	0034651	biological_process	cortisol biosynthetic process
D	0042445	biological_process	hormone metabolic process
D	0042446	biological_process	hormone biosynthetic process
D	0042448	biological_process	progesterone metabolic process
D	0043025	cellular_component	neuronal cell body
D	0046872	molecular_function	metal ion binding
D	0120254	biological_process	olefinic compound metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue HEM A 600

Chain	Residue
A	ARG96
A	VAL366
A	LEU370
A	ILE371
A	HIS373
A	PRO434
A	PHE435
A	ARG440
A	CYS442
A	ILE443
A	GLY444
A	ILE112
A	ALA448
A	6D7601
A	HOH723
A	ALA113
A	TRP121
A	ARG125
A	ALA302
A	GLY303
A	THR306
A	VAL310

site_id	AC2
Number of Residues	6
Details	binding site for residue 6D7 A 601

Chain	Residue
A	ALA113
A	TYR201
A	ASN202
A	ILE205
A	ALA302
A	HEM600

site_id	AC3
Number of Residues	20
Details	binding site for residue HEM B 600

Chain	Residue
B	ARG96
B	ILE112
B	ALA113
B	TRP121
B	ARG125
B	ALA302
B	THR306
B	VAL366
B	LEU370
B	ILE371
B	HIS373
B	PRO434
B	PHE435
B	ARG440
B	CYS442
B	ILE443
B	GLY444
B	ALA448
B	6D7601
B	HOH727

site_id	AC4
Number of Residues	7
Details	binding site for residue 6D7 B 601

Chain	Residue
B	ALA113
B	TYR201
B	ASN202
B	ILE205
B	ALA302
B	THR306
B	HEM600

site_id	AC5
Number of Residues	21
Details	binding site for residue HEM C 600

Chain	Residue
C	ARG96
C	ILE112
C	ALA113
C	TRP121
C	ARG125
C	ALA302
C	GLY303
C	THR306
C	VAL366
C	ALA367
C	LEU370
C	ILE371
C	HIS373
C	PRO434
C	PHE435
C	ARG440
C	CYS442
C	ILE443
C	ALA448
C	7D6601
C	HOH718

site_id	AC6
Number of Residues	8
Details	binding site for residue 7D6 C 601

Chain	Residue
C	ARG239
C	GLY297
C	ASP298
C	THR306
C	VAL482
C	VAL483
C	HEM600
C	HOH756

site_id	AC7
Number of Residues	8
Details	binding site for residue 7D6 D 601

Chain	Residue
D	ARG239
D	THR294
D	GLY297
D	ASP298
D	ALA302
D	VAL482
D	VAL483
D	HEM602

site_id	AC8
Number of Residues	20
Details	binding site for residue HEM D 602

Chain	Residue
D	VAL366
D	LEU370
D	ILE371
D	HIS373
D	PRO434
D	PHE435
D	ARG440
D	SER441
D	CYS442
D	ILE443
D	ALA448
D	7D6601
D	HOH713
D	ARG96
D	ILE112
D	ALA113
D	TRP121
D	ARG125
D	GLY303
D	THR306

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE435-GLY444

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	Binding site: {"evidences":[{"source":"PubMed","id":"25301938","evidenceCode":"ECO:0000269"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	4
Details	Binding site: {"description":"axial binding residue"}

Chain

Residue

Details

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