9CWK

Structure of human endothelial nitric oxide synthase heme domain bound with 6-(2,3-difluoro-5-(2-(methylamino)ethyl)phenyl)-4-methylpyridin-2-amine dihydrochloride

This is a non-PDB format compatible entry.

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, JA, Q, Z (A, D, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	AA, F, KA, R (C, A, D, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	BA, G, LA, S (C, A, D, B)	(6M)-6-{2,3-difluoro-5-[2-(methylamino)ethyl]phenyl}-4-methylpyridin-2-amine	non-polymer		277.3	4	Chemie (A1A0C)
5	CA, H, MA, T (C, A, D, B)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
6	DA, EA, I, J, NA... (C, A, D, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	8	Chemie (BTB)
7	FA, K, L, M, PA... (C, A, D, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
8	GA, N, QA, X (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	HA, O, RA, Y (C, A, D, B)	GADOLINIUM ION	non-polymer		157.3	4	Chemie (GD3)
10	IA, P (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
11	SA, TA, UA, VA (A, B, C, D)	water	water		18.0	1421	Chemie (HOH)

Sequence modifications

A, B, C, D: 41 - 480 (UniProt: P29474)

PDB	External Database	Details
Glu 298	Asp 298	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	197383.1
Non-Polymers*	Number of molecules	40
	Total formula weight	7904.5
All*	Total formula weight	205287.6

*Water molecules are not included.