Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3MZS

Crystal Structure of Cytochrome P450 CYP11A1 in complex with 22-hydroxy-cholesterol

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0004497	molecular_function	monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0005739	cellular_component	mitochondrion
A	0005743	cellular_component	mitochondrial inner membrane
A	0006694	biological_process	steroid biosynthetic process
A	0006700	biological_process	C21-steroid hormone biosynthetic process
A	0006704	biological_process	glucocorticoid biosynthetic process
A	0008203	biological_process	cholesterol metabolic process
A	0008207	biological_process	C21-steroid hormone metabolic process
A	0008386	molecular_function	cholesterol monooxygenase (side-chain-cleaving) activity
A	0008395	molecular_function	steroid hydroxylase activity
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
A	0034650	biological_process	cortisol metabolic process
A	0042359	biological_process	vitamin D metabolic process
A	0042446	biological_process	hormone biosynthetic process
A	0046872	molecular_function	metal ion binding
A	0071375	biological_process	cellular response to peptide hormone stimulus
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005739	cellular_component	mitochondrion
B	0005743	cellular_component	mitochondrial inner membrane
B	0006694	biological_process	steroid biosynthetic process
B	0006700	biological_process	C21-steroid hormone biosynthetic process
B	0006704	biological_process	glucocorticoid biosynthetic process
B	0008203	biological_process	cholesterol metabolic process
B	0008207	biological_process	C21-steroid hormone metabolic process
B	0008386	molecular_function	cholesterol monooxygenase (side-chain-cleaving) activity
B	0008395	molecular_function	steroid hydroxylase activity
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0020037	molecular_function	heme binding
B	0034650	biological_process	cortisol metabolic process
B	0042359	biological_process	vitamin D metabolic process
B	0042446	biological_process	hormone biosynthetic process
B	0046872	molecular_function	metal ion binding
B	0071375	biological_process	cellular response to peptide hormone stimulus
C	0004497	molecular_function	monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005739	cellular_component	mitochondrion
C	0005743	cellular_component	mitochondrial inner membrane
C	0006694	biological_process	steroid biosynthetic process
C	0006700	biological_process	C21-steroid hormone biosynthetic process
C	0006704	biological_process	glucocorticoid biosynthetic process
C	0008203	biological_process	cholesterol metabolic process
C	0008207	biological_process	C21-steroid hormone metabolic process
C	0008386	molecular_function	cholesterol monooxygenase (side-chain-cleaving) activity
C	0008395	molecular_function	steroid hydroxylase activity
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding
C	0034650	biological_process	cortisol metabolic process
C	0042359	biological_process	vitamin D metabolic process
C	0042446	biological_process	hormone biosynthetic process
C	0046872	molecular_function	metal ion binding
C	0071375	biological_process	cellular response to peptide hormone stimulus
D	0004497	molecular_function	monooxygenase activity
D	0005506	molecular_function	iron ion binding
D	0005739	cellular_component	mitochondrion
D	0005743	cellular_component	mitochondrial inner membrane
D	0006694	biological_process	steroid biosynthetic process
D	0006700	biological_process	C21-steroid hormone biosynthetic process
D	0006704	biological_process	glucocorticoid biosynthetic process
D	0008203	biological_process	cholesterol metabolic process
D	0008207	biological_process	C21-steroid hormone metabolic process
D	0008386	molecular_function	cholesterol monooxygenase (side-chain-cleaving) activity
D	0008395	molecular_function	steroid hydroxylase activity
D	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
D	0020037	molecular_function	heme binding
D	0034650	biological_process	cortisol metabolic process
D	0042359	biological_process	vitamin D metabolic process
D	0042446	biological_process	hormone biosynthetic process
D	0046872	molecular_function	metal ion binding
D	0071375	biological_process	cellular response to peptide hormone stimulus

Functional Information from PDB Data

site_id	AC1
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM A 500

Chain	Residue
A	ARG82
A	SER352
A	LEU355
A	ARG357
A	GLY415
A	PHE416
A	GLY417
A	TRP418
A	ARG421
A	CYS423
A	VAL424
A	LEU102
A	HC9501
A	TRP109
A	ARG113
A	MET284
A	GLY287
A	GLY288
A	THR291
A	THR295

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HC9 A 501

Chain	Residue
A	ILE85
A	TRP88
A	PHE203
A	THR291
A	VAL353
A	THR354
A	GLN356
A	PHE458
A	LEU460
A	HEM500
A	HOH523
A	HOH526

site_id	AC3
Number of Residues	4
Details	BINDING SITE FOR RESIDUE IPA A 502

Chain	Residue
A	PHE390
A	TRP401
A	ASN413
A	LEU414

site_id	AC4
Number of Residues	20
Details	BINDING SITE FOR RESIDUE HEM B 500

Chain	Residue
B	ARG82
B	LEU102
B	TRP109
B	ARG113
B	MET284
B	GLY287
B	GLY288
B	THR291
B	THR295
B	SER352
B	LEU355
B	ARG357
B	GLY415
B	PHE416
B	GLY417
B	ARG421
B	CYS423
B	VAL424
B	GLY425
B	HC9501

site_id	AC5
Number of Residues	10
Details	BINDING SITE FOR RESIDUE HC9 B 501

Chain	Residue
B	ILE85
B	LEU102
B	GLU283
B	THR291
B	SER352
B	VAL353
B	THR354
B	GLN356
B	LEU460
B	HEM500

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IPA B 502

Chain	Residue
B	ARG347
B	ILE380
B	MET383
B	ASN413
B	LEU414

site_id	AC7
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM C 500

Chain	Residue
C	ARG82
C	VAL101
C	LEU102
C	TRP109
C	ARG113
C	MET284
C	GLY287
C	GLY288
C	THR291
C	THR295
C	SER352
C	LEU355
C	ARG357
C	GLY415
C	PHE416
C	ARG421
C	CYS423
C	HC9501

site_id	AC8
Number of Residues	7
Details	BINDING SITE FOR RESIDUE HC9 C 501

Chain	Residue
C	ILE85
C	TRP88
C	LEU102
C	VAL353
C	THR354
C	GLN356
C	HEM500

site_id	AC9
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IPA C 502

Chain	Residue
C	ARG412
C	LEU414
C	MET383
C	PHE390
C	TRP401

site_id	BC1
Number of Residues	18
Details	BINDING SITE FOR RESIDUE HEM D 500

Chain	Residue
D	ARG82
D	VAL101
D	TRP109
D	ARG113
D	MET284
D	GLY287
D	THR291
D	THR295
D	ARG357
D	GLY415
D	PHE416
D	GLY417
D	TRP418
D	ARG421
D	CYS423
D	VAL424
D	GLY425
D	HC9501

site_id	BC2
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HC9 D 501

Chain	Residue
D	ILE85
D	TRP88
D	LEU102
D	SER352
D	VAL353
D	THR354
D	GLN356
D	HEM500
D	HOH508

site_id	BC3
Number of Residues	5
Details	BINDING SITE FOR RESIDUE IPA D 502

Chain	Residue
D	ILE380
D	MET383
D	TRP401
D	LEU414
D	GLY415

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE416-GLY425

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	4
Details	BINDING: axial binding residue => ECO:0000269\|PubMed:21159775, ECO:0007744\|PDB:3MZS

Chain	Residue	Details
A	CYS423
B	CYS423
C	CYS423
D	CYS423

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