3JX6
Structure of neuronal nitric oxide synthase D597N/M336V/Y706A mutant heme domain complexed with N1-[(3' R,4' R)-4'-((6"-amino-4"-methylpyridin-2"-yl)methyl)pyrrolidin-3'-yl]-N2-(3'-fluorophenethyl)ethane-1,2-diamine tetrahydrochloride
Entity
| Entity ID | Chain ID | Description | Type | Chain length | Formula weight | Number of molecules | DB Name (Accession) | Biological source | Descriptive keywords |
| 1 | A, B | Nitric oxide synthase, brain | polymer | 422 | 48687.4 | 2 | UniProt (P29476) Pfam (PF02898) In PDB | Rattus norvegicus (rat) | BNOS, NOS type I, Neuronal NOS, N-NOS, nNOS, Constitutive NOS, NC-NOS |
| 2 | A, B | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | A, B | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 2 | Chemie (H4B) | |||
| 4 | A, B | N-{(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}-N'-[2-(3-fluorophenyl)ethyl]ethane-1,2-diamine | non-polymer | 371.5 | 2 | Chemie (JI5) | |||
| 5 | A, B | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | A | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 7 | water | water | 18.0 | 189 | 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 |
| Ala 706 | Tyr 706 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 97374.8 | |
| Non-Polymers* | Number of molecules | 9 |
| Total formula weight | 2642.0 | |
| All* | Total formula weight | 100016.7 |
