MolNFT v1 · #106352 · protein
Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol
4RWM · Similar to hydroxylamine oxidoreductase hao: “Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol”. X-ray diffraction, 3 ligands (HEC, HG1, PO4), 4 pockets (best druggability 0.89). MolNFT v1…
- PDB
- 4RWM
- Type
- protein
- Length
- 497 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Similar to hydroxylamine oxidoreductase hao
- EC
- 1.7.3.4
- UniProt
- Q1PX48
- Ligands
- HEC, HG1, PO4
- Pockets
- 4 · best druggability 0.89
Structure
x-ray diffraction · 1 distinct chain · 48% helix, 3% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Similar to hydroxylamine oxidoreductase hao (EC 1.7.3.4) | protein | 497 | 48% helix, 3% strand | Q1PX48 |
Ligands and binding sites
- HEC · Heme C · ligand · 8 copies · chains A
- HG1 · 1-[(4-cyclohexylbutanoyl)(2-hydroxyethyl)amino]-1-deoxy-D-glucitol · ligand · chains A
- PO4 · Phosphate ion · ion · 3 copies · chains A
- EDO · 1,2-ethanediol · additive · 5 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1116 | 0.89 | 0.91 | 133 | EDO, HEC |
| 2 | 85 | 0.52 | 0.84 | 17 | empty |
| 3 | 71 | 0.32 | 0.75 | 17 | empty |
| 4 | 55 | 0.32 | 0.77 | 17 | PO4 |
Modifications
Observed in the structure: 16 cofactor (heme c attachment).
Compared structures
- 4RWM · Kuenenia stuttgartiensis hydroxylamine oxidoreductase cryoprotected with ethylene glycol · 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 Q1PX48
- Elsewhere: RCSB PDB 4RWM · PDBe 4RWM · UniProt Q1PX48
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