5FVU
Structure of human nNOS R354A G357D mutant heme domain in complex with 4-methyl-6-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl) 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 | 421 | 48784.5 | 2 | 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 |
| 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-(2-(5-(4-methylpiperazin-1-yl)pyridin-3-yl)ethyl)pyridin-2-amine | non-polymer | 311.4 | 2 | Chemie (W64) | |||
| 5 | F (A) | 1,2-ETHANEDIOL | non-polymer | 62.1 | 1 | Chemie (EDO) | |||
| 6 | G (A) | ZINC ION | non-polymer | 65.4 | 1 | Chemie (ZN) | |||
| 7 | K, L (A, B) | water | water | 18.0 | 220 | Chemie (HOH) |
Sequence modifications
A, B: 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 | 2 |
| Total formula weight | 97569.0 | |
| Non-Polymers* | Number of molecules | 8 |
| Total formula weight | 2465.8 | |
| All* | Total formula weight | 100034.8 |
