Research workbench
Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with W457F mutation at tetrahydrobiopterin binding site
Analyse Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with W457F… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1JWJ
- Type
- protein
- Length
- 823 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric oxide synthase
- EC
- 1.14.13.39
- UniProt
- P29477
- Ligands
- HEM, H4B
- Pockets
- 8 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase (EC 1.14.13.39) | protein | 412 | 42% helix, 15% strand | P29477 |
| B | Nitric oxide synthase (EC 1.14.13.39) | protein | 411 | 41% helix, 15% strand | P29477 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- H4B · 5,6,7,8-tetrahydrobiopterin · ligand · 2 copies · chains A, B
- GOL · Glycerol · additive · 9 copies · chains A, B
- BOG · octyl beta-D-glucopyranoside · additive · 2 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 2 copies · chains B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1013 | 0.80 | 0.81 | 74 | HEM, GOL |
| 2 | 961 | 0.80 | 0.81 | 70 | HEM, H4B, GOL |
| 3 | 249 | 0.58 | 0.78 | 28 | empty |
| 4 | 87 | 0.44 | 0.80 | 17 | GOL |
| 5 | 93 | 0.42 | 0.78 | 14 | GOL |
Interfaces
1 interface between chains.
- A–B · 182 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1JWJ · Murine Inducible Nitric Oxide Synthase Oxygenase Dimer (Delta 65) with W457F Mutation at… · the same entry in another collection · chain B against B, TM-score 1.00
- P29477 · AlphaFold monomer V2.0 prediction for nitric oxide synthase, inducible (P29477) · a predicted model of the same protein · chain A against A, TM-score 0.99
Analyse
- Open in the research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides and crosslinks on the 3D structure
- Every structure of UniProt P29477
- Elsewhere: RCSB PDB 1JWJ · PDBe 1JWJ · UniProt P29477
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