9MWV

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)thiophene-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	DA, E, NA, S (C, A, D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	EA, F, OA, T (C, A, D, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	FA, G, PA, U (C, A, D, B)	N-{3-[({2-[3-(aminomethyl)[1,1'-biphenyl]-4-yl]ethyl}amino)methyl]phenyl}thiophene-2-carboximidamide	non-polymer		440.6	4	Chemie (A1BT9)
5	GA, H, QA, R, V (C, A, D, B)	ACETATE ION	non-polymer		59.0	5	Chemie (ACT)
6	HA, I, J, RA, SA... (C, A, D, B)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	7	Chemie (BTB)
7	IA, JA, K, L, M... (C, A, D, B)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
8	AA, KA, N, VA (B, C, A, D)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	BA, O, WA (B, A, D)	GADOLINIUM ATOM	non-polymer		157.3	3	Chemie (GD)
10	LA, P (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
11	CA, MA, Q (B, C, A)	CALCIUM ION	non-polymer		40.1	3	Chemie (CA)
12	AB, XA, YA, ZA (D, A, B, C)	water	water		18.0	785	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	45
	Total formula weight	8646.7
All*	Total formula weight	206029.8

*Water molecules are not included.