MolNFT v1 · #24070 · protein
Crystal structure of aldehyde reductase 2 from sporobolomyces salmonicolor AKU4429
1UJM · Aldehyde reductase II: “Crystal structure of aldehyde reductase 2 from sporobolomyces salmonicolor AKU4429”. X-ray diffraction, 1 ligand (SO4), 3 pockets (best druggability 0.77). MolNFT v1 #24070 on GenesisL1: 3D structure, binding…
- PDB
- 1UJM
- Type
- protein
- Length
- 684 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldehyde reductase II
- EC
- 1.1.1.2
- UniProt
- Q9UUN9
- Ligands
- SO4
- Pockets
- 3 · best druggability 0.77
Structure
x-ray diffraction · 1 distinct chain · 41% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aldehyde reductase II (EC 1.1.1.2) | protein | 342 | 41% helix, 15% strand | Q9UUN9 |
Ligands and binding sites
- SO4 · Sulfate ion · ion · 10 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 776 | 0.77 | 0.81 | 68 | SO4 |
| 2 | 815 | 0.76 | 0.80 | 72 | SO4 |
| 3 | 287 | 0.69 | 0.84 | 51 | empty |
Interfaces
1 interface between chains.
- A–B · 561 Ų buried · 7 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 10 modified (engineered).
Compared structures
- 1UJM · Crystal structure of aldehyde reductase 2 from Sporobolomyces salmonicolor AKU4429 · the same entry in another collection · chain A against A, TM-score 1.00
- Q9UUN9 · AlphaFold monomer V2.0 prediction for aldehyde reductase 2 (Q9UUN9) · a predicted model of the same protein · chain A against A, TM-score 0.98
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 Q9UUN9
- Elsewhere: RCSB PDB 1UJM · PDBe 1UJM · UniProt Q9UUN9
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