3NLQ
Structure of neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with 6-{{(3'R,4'R)-3'-[2"-(3'''-fluorophenethylamino)ethoxy]pyrrolidin-4'-yl}methyl}-4-methylpyridin-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 (A, B) | Nitric oxide synthase, brain | polymer | 422 | 48779.5 | 2 | UniProt (P29476) Pfam (PF02898) | Rattus norvegicus (brown rat rat rats) | BNOS, NOS type I, Neuronal NOS, N-NOS, nNOS, Constitutive NOS, NC-NOS |
| 2 | C, I (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, J (A, B) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 2 | Chemie (H4B) | |||
| 4 | E, K (A, B) | 6-{[(3R,4R)-4-(2-{[2-(3-fluorophenyl)ethyl]amino}ethoxy)pyrrolidin-3-yl]methyl}-4-methylpyridin-2-amine | non-polymer | 372.5 | 2 | Chemie (JRR) | |||
| 5 | F, L (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | G (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 7 | H (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 8 | M, N (A, B) | water | water | 18.0 | 214 | Chemie (HOH) |
Sequence modifications
A, B: 297 - 718 (UniProt: P29476)
| PDB | External Database | Details |
|---|---|---|
| Val 336 | Met 336 | engineered mutation |
| Asn 597 | Asp 597 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97559.0 | |
| Non-Polymers* | Number of molecules | 10 |
| Total formula weight | 2706.0 | |
| All* | Total formula weight | 100264.9 |
