8FGU
Structure of human endothelial nitric oxide synthase heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)pyridin-2-amine
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, HA, O, X (A, D, B, C) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | F, IA, P, Y (A, D, B, C) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 4 | Chemie (H4B) | |||
| 4 | G, JA, Q, Z (A, D, B, C) | 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine | non-polymer | 355.4 | 4 | Chemie (XVA) | |||
| 5 | AA, BA, 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 | CA, DA, K, T (C, A, B) | GLYCEROL | non-polymer | 92.1 | 4 | Chemie (GOL) | |||
| 7 | EA, L, MA, U (C, A, D, B) | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 8 | FA, M, NA, V (C, A, D, B) | GADOLINIUM ATOM | non-polymer | 157.3 | 4 | Chemie (GD) | |||
| 9 | GA, N (C, A) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 10 | OA, PA, QA, RA (A, B, C, D) | water | water | 18.0 | 691 | 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 | 36 |
| Total formula weight | 8214.8 | |
| All* | Total formula weight | 205597.9 |
