Research workbench
X-ray structure of NADPH-dependent carbonyl reductase from sporobolomyces salmonicolor
Analyse X-ray structure of NADPH-dependent carbonyl reductase from sporobolomyces… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1ZZE
- 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
- 4 · best druggability 0.78
Structure
x-ray diffraction · 1 distinct chain · 40% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Aldehyde reductase II (EC 1.1.1.2) | protein | 342 | 40% 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
4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 846 | 0.78 | 0.81 | 74 | SO4 |
| 2 | 822 | 0.75 | 0.79 | 62 | SO4 |
| 3 | 290 | 0.68 | 0.83 | 48 | empty |
| 4 | 60 | 0.26 | 0.73 | 13 | empty |
Interfaces
1 interface between chains.
- A–B · 631 Ų buried · 7 hydrogen bonds · protein-protein
Compared structures
- 1ZZE · X-ray Structure of NADPH-dependent Carbonyl Reductase from Sporobolomyces salmonicolor · 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 B 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 1ZZE · PDBe 1ZZE · UniProt Q9UUN9
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