Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

3NA1

Crystal structure of human CYP11A1 in complex with 20-hydroxycholesterol

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	0005739	cellular_component	mitochondrion
A	0005743	cellular_component	mitochondrial inner membrane
A	0005759	cellular_component	mitochondrial matrix
A	0006066	biological_process	alcohol metabolic process
A	0006629	biological_process	lipid metabolic process
A	0006694	biological_process	steroid biosynthetic process
A	0006700	biological_process	C21-steroid hormone biosynthetic process
A	0006704	biological_process	glucocorticoid biosynthetic process
A	0008202	biological_process	steroid metabolic 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	0016125	biological_process	sterol 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	0016713	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced iron-sulfur protein as one donor, and incorporation of one atom of oxygen
A	0020037	molecular_function	heme binding
A	0034650	biological_process	cortisol metabolic process
A	0042359	biological_process	vitamin D metabolic process
A	0046872	molecular_function	metal ion binding
A	0071375	biological_process	cellular response to peptide hormone stimulus
A	0120178	biological_process	steroid hormone biosynthetic process
B	0004497	molecular_function	monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005515	molecular_function	protein binding
B	0005739	cellular_component	mitochondrion
B	0005743	cellular_component	mitochondrial inner membrane
B	0005759	cellular_component	mitochondrial matrix
B	0006066	biological_process	alcohol metabolic process
B	0006629	biological_process	lipid metabolic process
B	0006694	biological_process	steroid biosynthetic process
B	0006700	biological_process	C21-steroid hormone biosynthetic process
B	0006704	biological_process	glucocorticoid biosynthetic process
B	0008202	biological_process	steroid metabolic 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	0016125	biological_process	sterol 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	0016713	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen, reduced iron-sulfur protein as one donor, and incorporation of one atom of oxygen
B	0020037	molecular_function	heme binding
B	0034650	biological_process	cortisol metabolic process
B	0042359	biological_process	vitamin D metabolic process
B	0046872	molecular_function	metal ion binding
B	0071375	biological_process	cellular response to peptide hormone stimulus
B	0120178	biological_process	steroid hormone biosynthetic process
C	0051536	molecular_function	iron-sulfur cluster binding
C	0051537	molecular_function	2 iron, 2 sulfur cluster binding
C	0140647	biological_process	P450-containing electron transport chain
D	0051536	molecular_function	iron-sulfur cluster binding
D	0051537	molecular_function	2 iron, 2 sulfur cluster binding
D	0140647	biological_process	P450-containing electron transport chain

Functional Information from PDB Data

site_id	AC1
Number of Residues	24
Details	BINDING SITE FOR RESIDUE HEM A 601

Chain	Residue
A	ARG81
A	THR295
A	LEU346
A	ARG357
A	GLY415
A	PHE416
A	GLY417
A	TRP418
A	ARG421
A	GLN422
A	CYS423
A	VAL100
A	GLY425
A	MET433
A	HOH558
A	HCD602
A	HOH759
A	TRP108
A	ARG112
A	MET284
A	GLY287
A	GLY288
A	THR291
A	THR292

site_id	AC2
Number of Residues	12
Details	BINDING SITE FOR RESIDUE HCD A 602

Chain	Residue
A	PHE82
A	LEU101
A	MET201
A	GLU283
A	SER352
A	THR354
A	GLN356
A	LEU460
A	HOH516
A	HOH584
A	HEM601
A	HOH759

site_id	AC3
Number of Residues	25
Details	BINDING SITE FOR RESIDUE HEM B 601

Chain	Residue
B	ARG81
B	VAL100
B	TRP108
B	ARG112
B	MET284
B	GLY287
B	GLY288
B	THR291
B	THR292
B	THR295
B	LEU346
B	SER352
B	ARG357
B	GLY415
B	PHE416
B	GLY417
B	TRP418
B	ARG421
B	GLN422
B	CYS423
B	GLY425
B	MET433
B	HOH521
B	HCD602
B	HOH755

site_id	AC4
Number of Residues	9
Details	BINDING SITE FOR RESIDUE HCD B 602

Chain	Residue
B	PHE82
B	SER352
B	THR354
B	GLN356
B	LEU460
B	HOH563
B	HEM601
B	HOH608
B	HOH755

site_id	AC5
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FES C 150

Chain	Residue
C	CYS46
C	GLY48
C	CYS52
C	CYS55
C	CYS92

site_id	AC6
Number of Residues	5
Details	BINDING SITE FOR RESIDUE FES D 151

Chain	Residue
D	CYS46
D	GLY48
D	CYS52
D	CYS55
D	CYS92

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE416-GLY425

site_id	PS00814
Number of Residues	11
Details	ADX Adrenodoxin family, iron-sulfur binding region signature. CegTlACSTCH

Chain	Residue	Details
C	CYS46-HIS56

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	2
Details	Binding site: {"description":"axial binding residue","evidences":[{"source":"PubMed","id":"21636783","evidenceCode":"ECO:0000269"},{"source":"PDB","id":"3N9Y","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3N9Z","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NA0","evidenceCode":"ECO:0007744"},{"source":"PDB","id":"3NA1","evidenceCode":"ECO:0007744"}]}

Chain

Residue

Details

site_id	SWS_FT_FI2
Number of Residues	8
Details	Binding site: {}

Chain

Residue

Details

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