8FGM
Structure of human neuronal nitric oxide synthase R354A/G357D mutant heme domain in complex with 4-(difluoromethyl)-6-(5-(2-(dimethylamino)ethyl)-2,3-difluorophenethyl)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, C, D (A, B, C, D) | Nitric oxide synthase, brain | polymer | 421 | 48784.5 | 4 | UniProt (P29475) Pfam (PF02898) | Homo sapiens (human) | Constitutive NOS,NC-NOS,NOS type I,Neuronal NOS,nNOS,Peptidyl-cysteine S-nitrosylase NOS1,bNOS |
| 2 | E, L, O, U (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | F, J, P, V (A, C, D) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 4 | Chemie (H4B) | |||
| 4 | G, M, Q, W (A, B, C, D) | 4-(difluoromethyl)-6-(2-{5-[2-(dimethylamino)ethyl]-2,3-difluorophenyl}ethyl)pyridin-2-amine | non-polymer | 355.4 | 4 | Chemie (XVA) | |||
| 5 | H, I, N, R, S... (A, B, C, D) | GLYCEROL | non-polymer | 92.1 | 6 | Chemie (GOL) | |||
| 6 | K, T (B, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | AA, BA, Y, Z (C, D, A, B) | water | water | 18.0 | 759 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 302 - 722 (UniProt: P29475)
| PDB | External Database | Details |
|---|---|---|
| Ala 354 | Arg 354 | engineered mutation |
| Asp 357 | Gly 357 | engineered mutation |
Sequence viewer
Contents of the asymmetric unit
| Polymers | Number of chains | 4 |
| Total formula weight | 195138.0 | |
| Non-Polymers* | Number of molecules | 20 |
| Total formula weight | 5535.8 | |
| All* | Total formula weight | 200673.8 |
