Summary Structural details Experimental details Functional details Sequence Neighbor History Downloads

6XZ8

Structure of aldosterone synthase (CYP11B2) in complex with N-[(1R)-1-[5-(6-chloro-1,1-dimethyl-3-oxo-isoindolin-2-yl)-3-pyridyl]ethyl]methanesulfonamide

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0002017	biological_process	regulation of blood volume by renal aldosterone
A	0003091	biological_process	renal water homeostasis
A	0004497	molecular_function	monooxygenase activity
A	0004507	molecular_function	steroid 11-beta-monooxygenase activity
A	0005506	molecular_function	iron ion binding
A	0005739	cellular_component	mitochondrion
A	0005743	cellular_component	mitochondrial inner membrane
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	0006705	biological_process	mineralocorticoid biosynthetic process
A	0008203	biological_process	cholesterol metabolic process
A	0008395	molecular_function	steroid hydroxylase activity
A	0016125	biological_process	sterol metabolic process
A	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
A	0020037	molecular_function	heme binding
A	0032342	biological_process	aldosterone biosynthetic process
A	0032870	biological_process	cellular response to hormone stimulus
A	0034650	biological_process	cortisol metabolic process
A	0034651	biological_process	cortisol biosynthetic process
A	0035865	biological_process	cellular response to potassium ion
A	0046872	molecular_function	metal ion binding
A	0047783	molecular_function	corticosterone 18-monooxygenase activity
A	0055075	biological_process	potassium ion homeostasis
A	0055078	biological_process	sodium ion homeostasis
A	0071375	biological_process	cellular response to peptide hormone stimulus
A	1901615	biological_process	organic hydroxy compound metabolic process
B	0002017	biological_process	regulation of blood volume by renal aldosterone
B	0003091	biological_process	renal water homeostasis
B	0004497	molecular_function	monooxygenase activity
B	0004507	molecular_function	steroid 11-beta-monooxygenase activity
B	0005506	molecular_function	iron ion binding
B	0005739	cellular_component	mitochondrion
B	0005743	cellular_component	mitochondrial inner membrane
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	0006705	biological_process	mineralocorticoid biosynthetic process
B	0008203	biological_process	cholesterol metabolic process
B	0008395	molecular_function	steroid hydroxylase activity
B	0016125	biological_process	sterol metabolic process
B	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
B	0020037	molecular_function	heme binding
B	0032342	biological_process	aldosterone biosynthetic process
B	0032870	biological_process	cellular response to hormone stimulus
B	0034650	biological_process	cortisol metabolic process
B	0034651	biological_process	cortisol biosynthetic process
B	0035865	biological_process	cellular response to potassium ion
B	0046872	molecular_function	metal ion binding
B	0047783	molecular_function	corticosterone 18-monooxygenase activity
B	0055075	biological_process	potassium ion homeostasis
B	0055078	biological_process	sodium ion homeostasis
B	0071375	biological_process	cellular response to peptide hormone stimulus
B	1901615	biological_process	organic hydroxy compound metabolic process
C	0002017	biological_process	regulation of blood volume by renal aldosterone
C	0003091	biological_process	renal water homeostasis
C	0004497	molecular_function	monooxygenase activity
C	0004507	molecular_function	steroid 11-beta-monooxygenase activity
C	0005506	molecular_function	iron ion binding
C	0005739	cellular_component	mitochondrion
C	0005743	cellular_component	mitochondrial inner membrane
C	0006629	biological_process	lipid metabolic process
C	0006694	biological_process	steroid biosynthetic process
C	0006700	biological_process	C21-steroid hormone biosynthetic process
C	0006704	biological_process	glucocorticoid biosynthetic process
C	0006705	biological_process	mineralocorticoid biosynthetic process
C	0008203	biological_process	cholesterol metabolic process
C	0008395	molecular_function	steroid hydroxylase activity
C	0016125	biological_process	sterol metabolic process
C	0016705	molecular_function	oxidoreductase activity, acting on paired donors, with incorporation or reduction of molecular oxygen
C	0020037	molecular_function	heme binding
C	0032342	biological_process	aldosterone biosynthetic process
C	0032870	biological_process	cellular response to hormone stimulus
C	0034650	biological_process	cortisol metabolic process
C	0034651	biological_process	cortisol biosynthetic process
C	0035865	biological_process	cellular response to potassium ion
C	0046872	molecular_function	metal ion binding
C	0047783	molecular_function	corticosterone 18-monooxygenase activity
C	0055075	biological_process	potassium ion homeostasis
C	0055078	biological_process	sodium ion homeostasis
C	0071375	biological_process	cellular response to peptide hormone stimulus
C	1901615	biological_process	organic hydroxy compound metabolic process

Functional Information from PDB Data

site_id	AC1
Number of Residues	22
Details	binding site for residue HEC A 601

Chain	Residue
A	ARG110
A	THR319
A	VAL378
A	LEU382
A	ARG384
A	PRO442
A	PHE443
A	GLY444
A	PHE445
A	ARG448
A	GLN449
A	VAL129
A	CYS450
A	GLY452
A	O4T602
A	PHE130
A	TRP137
A	ARG141
A	LEU311
A	GLY314
A	SER315
A	THR318

site_id	AC2
Number of Residues	14
Details	binding site for residue O4T A 602

Chain	Residue
A	TRP116
A	ARG120
A	PHE130
A	PHE231
A	TRP260
A	ALA313
A	GLY314
A	THR318
A	VAL378
A	GLY379
A	PHE381
A	PHE487
A	ILE488
A	HEC601

site_id	AC3
Number of Residues	22
Details	binding site for residue HEC B 601

Chain	Residue
B	ARG110
B	VAL129
B	PHE130
B	TRP137
B	ARG141
B	LEU311
B	GLY314
B	SER315
B	THR318
B	THR319
B	PRO322
B	LEU373
B	VAL378
B	ARG384
B	PRO442
B	PHE443
B	GLY444
B	PHE445
B	ARG448
B	CYS450
B	GLY452
B	O4T602

site_id	AC4
Number of Residues	13
Details	binding site for residue O4T B 602

Chain	Residue
B	TRP116
B	PHE130
B	PHE231
B	TRP260
B	GLU310
B	ALA313
B	GLY314
B	THR318
B	GLY379
B	PHE381
B	PHE487
B	ILE488
B	HEC601

site_id	AC5
Number of Residues	23
Details	binding site for residue HEC C 601

Chain	Residue
C	ARG110
C	VAL129
C	TRP137
C	ARG141
C	LEU311
C	GLY314
C	SER315
C	THR318
C	THR319
C	PRO322
C	LEU373
C	VAL378
C	LEU382
C	ARG384
C	PRO442
C	PHE443
C	GLY444
C	PHE445
C	ARG448
C	CYS450
C	GLY452
C	ALA456
C	O4T602

site_id	AC6
Number of Residues	12
Details	binding site for residue O4T C 602

Chain	Residue
C	ALA313
C	GLY314
C	THR318
C	VAL378
C	GLY379
C	ILE488
C	HEC601
C	TRP116
C	ARG120
C	PHE130
C	PHE231
C	TRP260

Functional Information from PROSITE/UniProt

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

Chain	Residue	Details
A	PHE443-GLY452

Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	3
Details	BINDING: BINDING => ECO:0000269\|PubMed:23322723, ECO:0007744\|PDB:4DVQ

Chain	Residue	Details
A	PHE381
B	PHE381
C	PHE381

site_id	SWS_FT_FI2
Number of Residues	3
Details	BINDING: axial binding residue => ECO:0000269\|PubMed:23322723, ECO:0007744\|PDB:4DVQ, ECO:0007744\|PDB:4FDH

Chain	Residue	Details
A	CYS450
B	CYS450
C	CYS450

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