MolNFT v1 · #4732 · protein
Murine inducible nitric oxide synthase oxygenase dimer N-hydroxyarginine and dihydrobiopterin
1DWW: “Murine inducible nitric oxide synthase oxygenase dimer N-hydroxyarginine and dihydrobiopterin”. X-ray diffraction, 5 ligands (HEM, H2B, HAR), 10 pockets (best druggability 0.80). MolNFT v1 #4732 on GenesisL1: 3D structure, binding…
- PDB
- 1DWW
- Type
- protein
- Length
- 840 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, H2B, HAR, ZN, SO4
- Pockets
- 10 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Nitric oxide synthase (EC 1.14.13.39) | protein | 420 | 38% helix, 14% strand | P29477 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · 2 copies · chains A, B
- H2B · 2-amino-6-(1,2-dihydroxy-propyl)-7,8-dihydro-6H-pteridin-4-one · ligand · 2 copies · chains A, B
- HAR · N-omega-hydroxy-L-arginine · ligand · 2 copies · chains A, B
- ZN · Zinc ion · metal · 2 copies · chains A, B
- SO4 · Sulfate ion · ion · 8 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
10 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 952 | 0.80 | 0.82 | 68 | HEM, HAR |
| 2 | 1009 | 0.80 | 0.81 | 68 | HEM, H2B, HAR |
| 3 | 268 | 0.63 | 0.81 | 28 | empty |
| 4 | 70 | 0.49 | 0.84 | 15 | empty |
| 5 | 80 | 0.46 | 0.82 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 291 Ų buried · 1 hydrogen bond · protein-protein
Compared structures
- 1DWW · MURINE INDUCIBLE NITRIC OXIDE SYNTHASE OXYGENASE DIMER N-hydroxyarginine and… · the same entry in another collection · chain A against A, 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 1DWW · PDBe 1DWW · UniProt P29477
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