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

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B, C	Cytochrome P450 11B2, mitochondrial	polymer	489	56242.2	3	UniProt (P19099) Pfam (PF00067) In PDB	Homo sapiens (Human)	Aldosterone synthase,ALDOS,Aldosterone-synthesizing enzyme,CYPXIB2,Corticosterone 18-monooxygenase,CYP11B2,Cytochrome P-450Aldo,Cytochrome P-450C18,Steroid 11-beta-hydroxylase,Steroid 18-hydroxylase
2	A, B, C	HEME C	non-polymer		618.5	3	Chemie (HEC)
3	A, B, C	~{N}-[(1~{R})-1-[5-(6-chloranyl-1,1-dimethyl-3-oxidanylidene-isoindol-2-yl)pyridin-3-yl]ethyl]methanesulfonamide	non-polymer		393.9	3	Chemie (O4T)
4		water	water		18.0	62	Chemie (HOH)

Sequence modifications

A, B, C: 28 - 503 (UniProt: P19099)

PDB	External Database	Details
Met 24	-	initiating methionine
Ala 25	-	expression tag
Thr 26	-	expression tag
Lys 27	-	expression tag
Gly 504	-	expression tag
Gly 505	-	expression tag
Arg 506	-	expression tag
His 507	-	expression tag
His 508	-	expression tag
His 509	-	expression tag
His 510	-	expression tag
His 511	-	expression tag
His 512	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	168726.6
Non-Polymers*	Number of molecules	6
	Total formula weight	3037.2
All*	Total formula weight	171763.8

*Water molecules are not included.