9MWW

Structure of human endothelial nitric oxide synthase heme domain bound with N-(3-(((2-(3-(aminomethyl)-[1,1'-biphenyl]-4-yl)ethyl)amino)methyl)phenyl)thiazole-5-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, OA, Q (C, A, D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	CA, F, PA, R (C, A, D, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	DA, G, QA, S (C, A, D, B)	N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}-1,3-thiazole-5-carboximidamide	non-polymer		441.6	4	Chemie (A1BTW)
5	EA, H, RA, T (C, A, D, B)	ACETATE ION	non-polymer		59.0	4	Chemie (ACT)
6	FA, GA, I, J, SA... (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, JA, K, L... (C, A, D, B)	GLYCEROL	non-polymer		92.1	11	Chemie (GOL)
8	KA, N, XA, Y (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	MA, O (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
10	AA, P (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
11	LA, NA, YA, Z (C, D, B)	GADOLINIUM ATOM	non-polymer		157.3	4	Chemie (GD)
12	AB, BB, CB, ZA (B, C, D, A)	water	water		18.0	801	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	47
	Total formula weight	9102.2
All*	Total formula weight	206485.3

*Water molecules are not included.