3DQT
Structure of endothelial NOS heme domain in complex with a inhibitor (+-)-N1-{trans-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-chlorobenzyl)ethane-1,2-diamine
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B (A, B) | Nitric oxide synthase, endothelial | polymer | 416 | 46854.0 | 2 | UniProt (P29473) Pfam (PF02898) | Bos taurus (Bovine) | Endothelial NOS, eNOS, EC-NOS, NOS type III, NOSIII, Constitutive NOS, cNOS |
| 2 | C, I (A, B) | CACODYLATE ION | non-polymer | 137.0 | 2 | Chemie (CAC) | |||
| 3 | D, J (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 4 | E, L (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 5 | F, M (A, B) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 2 | Chemie (H4B) | |||
| 6 | G, N (A, B) | N-{(3R,4S)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-(3-chlorobenzyl)ethane-1,2-diamine | non-polymer | 373.9 | 2 | Chemie (JI7) | |||
| 7 | H, O (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 8 | K (B) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 9 | P, Q (A, B) | water | water | 18.0 | 184 | Chemie (HOH) |
Sequence modifications
A, B: 67 - 482 (UniProt: P29473)
| PDB | External Database | Details |
|---|---|---|
| Arg 100 | Cys 100 | variant |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 93708.1 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3105.0 | |
| All* | Total formula weight | 96813.0 |
