3JX3
Structure of rat neuronal nitric oxide synthase D597N/M336V mutant heme domain in complex with N1-{(3'R,4'R)-4'-[(6"-amino-4"-methylpyridin-2"-yl)methyl]pyrrolidin-3'-yl}-N2-(3'-fluorophenethyl)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 | Nitric oxide synthase, brain | polymer | 422 | 48779.5 | 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 | 305 | 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 | 9 |
Total formula weight | 2642.0 | |
All* | Total formula weight | 100200.9 |