3NLI
Structure of endothelial nitric oxide synthase N368D mutant heme domain complexed 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, endothelial | polymer | 444 | 49711.1 | 2 | UniProt (P29473) Pfam (PF02898) | Bos taurus (bovine cow domestic cattle domestic cow) | Endothelial NOS, eNOS, EC-NOS, NOS type III, NOSIII, Constitutive NOS, cNOS |
| 2 | C, J (A, B) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 2 | Chemie (HEM) | |||
| 3 | D, K (A, B) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 2 | Chemie (H4B) | |||
| 4 | E, L (A, B) | ACETATE ION | non-polymer | 59.0 | 2 | Chemie (ACT) | |||
| 5 | F, M (A, B) | GLYCEROL | non-polymer | 92.1 | 2 | Chemie (GOL) | |||
| 6 | G, N (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) | |||
| 7 | H, O (A, B) | CACODYLIC ACID | non-polymer | 138.0 | 2 | Chemie (CAD) | |||
| 8 | I (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 9 | P, Q (A, B) | water | water | 18.0 | 626 | Chemie (HOH) |
Sequence modifications
A, B: 39 - 482 (UniProt: P29473)
| PDB | External Database | Details |
|---|---|---|
| Arg 100 | Cys 100 | SEE REMARK 999 |
| Asp 368 | Asn 368 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 2 |
| Total formula weight | 99422.2 | |
| Non-Polymers* | Number of molecules | 13 |
| Total formula weight | 3104.1 | |
| All* | Total formula weight | 102526.3 |
