9CWI
Structure of human endothelial nitric oxide synthase heme domain bound with 6-(5-((3,3-difluoroazetidin-1-yl)methyl)-2,3-difluorophenyl)-4-methylpyridin-2-amine dihydrochloride
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, MA, Q (C, A, D, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | CA, F, NA, R (C, A, D, B) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 4 | Chemie (H4B) | |||
| 4 | DA, G, OA, S (C, A, D, B) | (6M)-6-{5-[(3,3-difluoroazetidin-1-yl)methyl]-2,3-difluorophenyl}-4-methylpyridin-2-amine | non-polymer | 325.3 | 4 | Chemie (A1A0D) | |||
| 5 | EA, FA, H, I, J... (C, A, D, B) | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 10 | Chemie (BTB) | |||
| 6 | GA, HA, IA, JA, K... (C, A, D, B) | GLYCEROL | non-polymer | 92.1 | 10 | Chemie (GOL) | |||
| 7 | KA, N, SA, X (C, A, D, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 8 | AA, O, TA, Y (B, A, D) | GADOLINIUM ION | non-polymer | 157.3 | 4 | Chemie (GD3) | |||
| 9 | LA, P (C, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 10 | UA, VA, WA, XA (A, B, C, D) | water | water | 18.0 | 987 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 41 - 480 (UniProt: P29474)
| PDB | External Database | Details |
|---|---|---|
| Glu 298 | Asp 298 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 197383.1 | |
| Non-Polymers* | Number of molecules | 42 |
| Total formula weight | 8647.1 | |
| All* | Total formula weight | 206030.2 |
