4V3U
Structure of human nNOS R354A G357D mutant heme domain in complex with N-2-(2-(1H-imidazol-1-yl)pyrimidin-4-yl)ethyl-3-(pyridin-3-yl) propan-1-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 | 420 | 48655.3 | 4 | UniProt (P29475) Pfam (PF02898) | HOMO SAPIENS (HUMAN) | CONSTITUTIVE NOS, NC-NOS, NOS TYPE I, NEURONAL NOS, N-NOS, NNOS, PEPTIDYL-CYSTEINE S-NITROSYLASE NOS1, BNOS, NEURONAL NITRIC OXIDE SYNTHASE |
| 2 | E, J, N, T (A, B, C, D) | PROTOPORPHYRIN IX CONTAINING FE | non-polymer | 616.5 | 4 | Chemie (HEM) | |||
| 3 | F, K, O, U (A, B, C, D) | 5,6,7,8-TETRAHYDROBIOPTERIN | non-polymer | 241.2 | 4 | Chemie (H4B) | |||
| 4 | G, L, P, V (A, B, C, D) | N-{2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}-3-(pyridin-3-yl)propan-1-amine | non-polymer | 308.4 | 4 | Chemie (EG8) | |||
| 5 | H, M, Q, R, W (A, B, C, D) | GLYCEROL | non-polymer | 92.1 | 5 | Chemie (GOL) | |||
| 6 | I, S (A, C) | ZINC ION | non-polymer | 65.4 | 2 | Chemie (ZN) | |||
| 7 | AA, X, Y, Z (D, A, B, C) | water | water | 18.0 | 902 | Chemie (HOH) |
Sequence modifications
A, B, C, D: 302 - 721 (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 | 194621.3 | |
| Non-Polymers* | Number of molecules | 19 |
| Total formula weight | 5255.7 | |
| All* | Total formula weight | 199877.0 |
