MolNFT v1 · #107659 · protein
Structure of Y357F bacillus subtilis nitric oxide synthase in complex with arginine and 5,6,7,8-tetrahydrobiopterin
4UGV · Nitric oxide synthase oxygenase: “Structure of Y357F bacillus subtilis nitric oxide synthase in complex with arginine and…”. X-ray diffraction, 3 ligands (HEM, H4B, ARG), 3 pockets (best druggability 0.78). MolNFT v1 #107659 on…
- PDB
- 4UGV
- Type
- protein
- Length
- 362 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Nitric oxide synthase oxygenase
- EC
- 1.14.13.165
- UniProt
- O34453
- Ligands
- HEM, H4B, ARG
- Pockets
- 3 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Nitric oxide synthase oxygenase (EC 1.14.13.165) | protein | 362 | 44% helix, 15% strand | O34453 |
Ligands and binding sites
- HEM · Protoporphyrin IX containing Fe · ligand · chains A
- H4B · 5,6,7,8-tetrahydrobiopterin · ligand · chains A
- ARG · Arginine · ligand · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 741 | 0.78 | 0.82 | 63 | HEM, ARG |
| 2 | 165 | 0.44 | 0.75 | 30 | empty |
| 3 | 66 | 0.38 | 0.78 | 22 | empty |
Compared structures
- 4UGV · Structure of Y357F Bacillus subtilis Nitric Oxide Synthase in complex with Arginine and… · the same entry in another collection · chain A against A, TM-score 1.00
- O34453 · AlphaFold monomer V2.0 prediction for nitric oxide synthase oxygenase (O34453) · a predicted model of the same protein · 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 O34453
- Elsewhere: RCSB PDB 4UGV · PDBe 4UGV · UniProt O34453
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