9CW7

Structure of human endothelial nitric oxide synthase heme domain bound with 4-methyl-5'-((methylamino)methyl)-[2,3'-bipyridin]-6-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	BA, E, LA, Q (C, A, D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	CA, F, MA, R (C, A, D, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	DA, G, NA, S (C, A, D, B)	(2M)-4-methyl-5'-[(methylamino)methyl][2,3'-bipyridin]-6-amine	non-polymer		228.3	4	Chemie (A1A0E)
5	FA, H, I, J, PA... (C, A, D, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	9	Chemie (BTB)
6	GA, HA, IA, K, L... (C, A, D, B)	GLYCEROL	non-polymer		92.1	8	Chemie (GOL)
7	JA, M, SA, X (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
8	AA, N, TA, Y (B, A, D)	GADOLINIUM ION	non-polymer		157.3	4	Chemie (GD3)
9	KA, O (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
10	EA, OA, T (C, D, B)	ACETATE ION	non-polymer		59.0	3	Chemie (ACT)
11	UA, VA, WA, XA (A, B, C, D)	water	water		18.0	981	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	42
	Total formula weight	8042.8
All*	Total formula weight	205425.9

*Water molecules are not included.