MolNFT v1 · #45896 · protein
Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with tetrahydrobiopterin and water bound in active center
2NOD: “Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with tetrahydrobiopterin and water bound in…”. X-ray diffraction, 3 ligands (HEM, H4B, SO4), 7 pockets (best druggability 0.81). MolNFT v1 #45896 on GenesisL1: 3D…
- PDB
- 2NOD
- Type
- protein
- Length
- 827 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, SO4
- Pockets
- 7 · best druggability 0.81
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase (EC 1.14.13.39) | protein | 414 | 38% helix, 14% strand | P29477 |
| B | Nitric oxide synthase (EC 1.14.13.39) | protein | 413 | 39% helix, 14% 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
- SO4 · Sulfate ion · ion · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1097 | 0.81 | 0.82 | 74 | HEM, H4B |
| 2 | 1109 | 0.81 | 0.82 | 73 | HEM, H4B |
| 3 | 280 | 0.61 | 0.79 | 32 | empty |
| 4 | 96 | 0.50 | 0.82 | 20 | empty |
| 5 | 57 | 0.45 | 0.84 | 16 | empty |
Interfaces
1 interface between chains.
- A–B · 238 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 2NOD · Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with… · the same entry in another collection · chain A against A, TM-score 1.00
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 2NOD · PDBe 2NOD · UniProt P29477
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