4ZGX

Structure of aldosterone synthase (CYP11B2) in complex with (+)-(R)-N-(4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl)propionamide

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, D, E... (A, B, C, D, E...)	Cytochrome P450 11B2, mitochondrial	polymer	489	56242.2	12	UniProt (P19099) Pfam (PF00067)	Homo sapiens (Human)	Aldosterone synthase,ALDOS,Aldosterone-synthesizing enzyme,CYPXIB2,Cytochrome P-450Aldo,Cytochrome P-450C18,Steroid 18-hydroxylase
2	AA, CA, EA, GA, M... (I, J, K, L, A...)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	12	Chemie (HEM)
3	BA, DA, FA, HA, N... (I, J, K, L, A...)	N-[(8R)-4-(4-chloro-3-fluorophenyl)-5,6,7,8-tetrahydroisoquinolin-8-yl]propanamide	non-polymer		332.8	10	Chemie (QHC)
4	IA, JA, KA, LA, MA... (A, B, C, D, E...)	water	water		18.0	817	Chemie (HOH)

Sequence modifications

A, B, C, D, E, F, G, H, I, J, K, L: 28 - 503 (UniProt: P19099)

PDB	External Database	Details
Met 24	-	expression tag
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	12
	Total formula weight	674906.4
Non-Polymers*	Number of molecules	22
	Total formula weight	10725.8
All*	Total formula weight	685632.2

*Water molecules are not included.