Research workbench
Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with tetrahydrobiopterin and water bound in active center
Analyse Murine inducible nitric oxide synthase oxygenase dimer (delta 65) with… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- 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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