6AV6

Structure of human endothelial nitric oxide synthase heme domain in complex with 6-(3-Fluoro-5-(3-(methylamino)propyl)phenethyl)-4-methylpyridin-2-amine

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 (A, B, C, D)	Nitric oxide synthase, endothelial	polymer	440	49345.8	4	UniProt (P29474) Pfam (PF02898)	Homo sapiens (Human)	Constitutive NOS,cNOS,EC-NOS,Endothelial NOS,eNOS,NOS type III,NOSIII
2	E, EA, N, W (A, D, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, GA, P, Y (A, D, B, C)	6-(2-{3-fluoro-5-[3-(methylamino)propyl]phenyl}ethyl)-4-methylpyridin-2-amine	non-polymer		301.4	4	Chemie (W68)
4	G, H, HA, IA, Q... (A, D, B, C)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	9	Chemie (BTB)
5	AA, I (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
6	BA, J (C, A)	GLYCEROL	non-polymer		92.1	2	Chemie (GOL)
7	CA, K, KA, S (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
8	DA, JA, L, T (C, D, A, B)	GADOLINIUM ATOM	non-polymer		157.3	4	Chemie (GD)
9	FA, M, O, X (D, B, C)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
10	LA, MA, NA, OA (A, B, C, D)	water	water		18.0	326	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	197383.1
Non-Polymers*	Number of molecules	33
	Total formula weight	7605.5
All*	Total formula weight	204988.6

*Water molecules are not included.