9MWR

Structure of human endothelial nitric oxide synthase heme domain bound with N-(4-(2-((3-(thiazole-2-carboximidamido)benzyl)amino)ethyl)phenyl)thiazole-2-carboximidamide

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, MA, R (C, A, D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	CA, F, NA, S (C, A, D, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	DA, G, OA, T (C, A, D, B)	N-[3-({[2-(4-{[(Z)-imino(1,3-thiazol-2-yl)methyl]amino}phenyl)ethyl]amino}methyl)phenyl]-1,3-thiazole-2-carboximidamide	non-polymer		461.6	4	Chemie (A1BTV)
5	EA, H (C, A)	ACETATE ION	non-polymer		59.0	2	Chemie (ACT)
6	FA, GA, I, J, PA... (C, A, D, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	8	Chemie (BTB)
7	HA, IA, K, L, M... (C, A, D, B)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
8	JA, N, TA, Y (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	KA, O, UA, Z (C, A, D, B)	GADOLINIUM ATOM	non-polymer		157.3	4	Chemie (GD)
10	LA, P (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
11	AA, Q (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
12	VA, WA, XA, YA (A, B, C, D)	water	water		18.0	933	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	43
	Total formula weight	8880.0
All*	Total formula weight	206263.1

*Water molecules are not included.