9MWN

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

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 3	polymer	441	49474.9	4	UniProt (P29474) Pfam (PF02898)	Homo sapiens (human)	Constitutive NOS,cNOS,EC-NOS,NOS type III,NOSIII,Nitric oxide synthase,endothelial,Endothelial NOS,eNOS
2	E, FA, O, W (A, D, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, GA, P, X (A, D, B, C)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	G, HA, Q, Y (A, D, B, C)	N-(4-{2-[(3-{[(E)-imino(thiophen-2-yl)methyl]amino}benzyl)amino]ethyl}phenyl)thiophene-2-carboximidamide	non-polymer		459.6	4	Chemie (H44)
5	H, IA, R, Z (A, D, B, C)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
6	AA, BA, I, J, JA... (C, A, D, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	8	Chemie (BTB)
7	CA, K, LA (C, A, D)	GLYCEROL	non-polymer		92.1	3	Chemie (GOL)
8	DA, L, MA, U (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	M, NA, V (A, D, B)	GADOLINIUM ATOM	non-polymer		157.3	3	Chemie (GD)
10	EA, N (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
11	OA, PA, QA, RA (A, B, C, D)	water	water		18.0	838	Chemie (HOH)

Sequence modifications

A, B, C, D: 41 - 481 (UniProt: P29474)

PDB	External Database	Details
Glu 298	Asp 298	variant

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	197899.8
Non-Polymers*	Number of molecules	36
	Total formula weight	8200.2
All*	Total formula weight	206100.0

*Water molecules are not included.