9MZ3

Structure of human endothelial nitric oxide synthase heme domain bound 2-(2-amino-6-fluoro-4-methylquinolin-7-yl)-5-(2-aminoethyl)phenol

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	E, EA, QA, T (A, C, D, B)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, FA, RA, U (A, C, D, B)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	G, GA, SA, V (A, C, D, B)	(2M)-5-(2-aminoethyl)-2-(2-amino-6-fluoro-4-methylquinolin-7-yl)phenol	non-polymer		311.4	4	Chemie (A1BUH)
5	AA, H, I, JA, KA... (B, A, C, D)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	8	Chemie (BTB)
6	HA, IA, J, K, TA... (C, A, D, B)	ACETATE ION	non-polymer		59.0	8	Chemie (ACT)
7	L, LA, M, MA, N... (A, C, D, B)	GLYCEROL	non-polymer		92.1	9	Chemie (GOL)
8	BA, NA, O, ZA (B, C, A, D)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
9	AB, CA, OA, P (D, B, C, A)	GADOLINIUM ATOM	non-polymer		157.3	4	Chemie (GD)
10	PA, Q (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
11	DA, S (B, A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
12	BB, CB, DB, EB (A, B, C, D)	water	water		18.0	735	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	49
	Total formula weight	8633.3
All*	Total formula weight	206016.3

*Water molecules are not included.