8UFT
Structure of human endothelial nitric oxide synthase P370N mutant heme domain in complex with 4-methyl-7-(4-methyl-2,3,4,5-tetrahydrobenzo[f][1,4]oxazepin-7-yl)quinolin-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 | Nitric oxide synthase 3 | polymer | 440 | 49362.8 | 4 | UniProt (P29474) Pfam (PF02898) In PDB | Homo sapiens (human) | Constitutive NOS,cNOS,EC-NOS,NOS type III,NOSIII,Nitric oxide synthase,endothelial,Endothelial NOS,eNOS |
| 2 | C, A, D, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | C, A, D, B | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 4 | Chemie (H4B) | |||
| 4 | C, A, D, B | (7M)-4-methyl-7-(4-methyl-2,3,4,5-tetrahydro-1,4-benzoxazepin-7-yl)quinolin-2-amine | non-polymer | 319.4 | 4 | Chemie (WK2) | |||
| 5 | C, A, B, D | ACETATE ION | non-polymer | 59.0 | 6 | Chemie (ACT) | |||
| 6 | C, A, D, B | 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL | non-polymer | 209.2 | 7 | Chemie (BTB) | |||
| 7 | C, A, D, B | GLYCEROL | non-polymer | 92.1 | 8 | Chemie (GOL) | |||
| 8 | C, A, D, B | CHLORIDE ION | non-polymer | 35.5 | 4 | Chemie (CL) | |||
| 9 | A, C | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 10 | A, B | CALCIUM ION | non-polymer | 40.1 | 3 | Chemie (CA) | |||
| 11 | C, D, B | GADOLINIUM ATOM | non-polymer | 157.3 | 4 | Chemie (GD) | |||
| 12 | water | water | 18.0 | 1319 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 41 - 480 (UniProt: P29474)
| PDB | External Database | Details |
|---|---|---|
| Glu 298 | Asp 298 | variant |
| Asn 370 | Pro 370 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 197451.0 | |
| Non-Polymers* | Number of molecules | 46 |
| Total formula weight | 8286.1 | |
| All* | Total formula weight | 205737.1 |
