4CX3
Structure of rat neuronal nitric oxide synthase M336V D597N mutant heme domain in complex with 4-METHYL-6-(((3R,4R)-4-((5-(PYRIDIN-2-YL) PENTYL)OXY)PYRROLIDIN-3-YL)METHYL)PYRIDIN-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 (NORWAY RAT) | BNOS, CONSTITUTIVE NOS, NC-NOS, NOS TYPE I, NEURONAL NOS, N -NOS, NNOS, PEPTIDYL-CYSTEINE S-NITROSYLASE NOS1, NEURONAL NITRIC OXIDE SYNTHASE |
| 2 | C, H (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, I (A, B) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 2 | Chemie (H4B) | |||
| 4 | E, J (A, B) | 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine | non-polymer | 354.5 | 2 | Chemie (HW8) | |||
| 5 | F, K (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 6 | G, L (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 7 | M (B) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 8 | N, O (A, B) | water | water | 18.0 | 428 | 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 | 11 |
| Total formula weight | 2792.1 | |
| All* | Total formula weight | 100351.1 |
