MolNFT v1 · #131922 · protein
Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of HAO1 in complex with Z1407672867
5QIG · Hydroxyacid oxidase 1: “Pandda analysis group deposition of models with modelled events (E.G. bound ligands) -- crystal structure of…”. X-ray diffraction, 2 ligands (GWP, FMN), 3 pockets (best druggability 0.81). MolNFT v1 #131922…
- PDB
- 5QIG
- Type
- protein
- Length
- 359 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Hydroxyacid oxidase 1
- EC
- 1.1.3.15
- UniProt
- Q9UJM8
- Ligands
- GWP, FMN
- Pockets
- 3 · best druggability 0.81
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Hydroxyacid oxidase 1 (EC 1.1.3.15) | protein | 359 | 45% helix, 14% strand | Q9UJM8 |
Ligands and binding sites
- GWP · 2-cyclopropyl-1~{H}-imidazole-4-carboxamide · ligand · 2 copies · chains A
- FMN · Flavin mononucleotide · ligand · 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 | 150 | 0.81 | 0.97 | 30 | FMN |
| 2 | 144 | 0.49 | 0.78 | 27 | empty |
| 3 | 51 | 0.24 | 0.72 | 14 | empty |
Compared structures
- 5QIG · PanDDA analysis group deposition of models with modelled events (e.g. bound ligands)… · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UJM8 · AlphaFold monomer V2.0 prediction for hydroxyacid oxidase 1 (Q9UJM8) · 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 Q9UJM8
- Elsewhere: RCSB PDB 5QIG · PDBe 5QIG · UniProt Q9UJM8
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