9Q55

Structure of human endothelial nitric oxide synthase heme domain bound with 6-((2,3-difluoro-5-(2-(4-fluoropiperidin-1-yl)ethyl)phenoxy)methyl)-4-methylpyridin-2-amine

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 3	polymer	440	49345.8	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, EA, O, W (A, D, B, C)	PROTOPORPHYRIN IX CONTAINING FE	non-polymer		616.5	4	Chemie (HEM)
3	F, FA, P, X (A, D, B, C)	5,6,7,8-TETRAHYDROBIOPTERIN	non-polymer		241.2	4	Chemie (H4B)
4	G, GA, Q, Y (A, D, B, C)	6-({2,3-difluoro-5-[2-(4-fluoropiperidin-1-yl)ethyl]phenoxy}methyl)-4-methylpyridin-2-amine	non-polymer		379.4	4	Chemie (A1CN8)
5	H, HA, IA, R, S... (A, D, B, C)	2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL	non-polymer		209.2	6	Chemie (BTB)
6	AA, BA, I, J, JA... (C, A, D, B)	GLYCEROL	non-polymer		92.1	6	Chemie (GOL)
7	CA, K, KA, U (C, A, D, B)	CHLORIDE ION	non-polymer		35.5	4	Chemie (CL)
8	DA, L (C, A)	ZINC ION	non-polymer		65.4	2	Chemie (ZN)
9	M, N (A)	CALCIUM ION	non-polymer		40.1	2	Chemie (CA)
10	LA, V (D, B)	GADOLINIUM ATOM	non-polymer		157.3	2	Chemie (GD)
11	MA, NA, OA, PA (A, B, C, D)	water	water		18.0	671	Chemie (HOH)

Sequence modifications

A, B, C, D: 41 - 480 (UniProt: P29474)

PDB	External Database	Details
Glu 298	Asp 298	conflict

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	197383.1
Non-Polymers*	Number of molecules	34
	Total formula weight	7423.9
All*	Total formula weight	204807.0

*Water molecules are not included.