Research workbench
An aldo keto reductase with 2-keto- L-gulonate reductase activity
Analyse An aldo keto reductase with 2-keto- L-gulonate reductase activity in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 6PEX
- Type
- protein
- Length
- 1,248 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo keto reductase
- UniProt
- A5CAL1
- Pockets
- 10 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 39% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Aldo keto reductase | protein | 312 | 39% helix, 17% strand | A5CAL1 |
Pockets
10 pockets found on a 1 Å grid, 5 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 493 | 0.73 | 0.82 | 67 | empty |
| 2 | 526 | 0.72 | 0.81 | 67 | empty |
| 3 | 386 | 0.67 | 0.80 | 52 | empty |
| 4 | 366 | 0.66 | 0.80 | 49 | empty |
| 5 | 422 | 0.64 | 0.78 | 62 | empty |
Interfaces
5 interfaces between chains.
- A–D · 2539 Ų buried · 36 hydrogen bonds · protein-protein
- C–D · 476 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 282 Ų buried · 2 hydrogen bonds · protein-protein
- B–D · 160 Ų buried · 0 hydrogen bonds · protein-protein
- B–C · 82 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 6PEX · An aldo keto reductase with 2-keto- L-gulonate reductase activity · the same entry in another collection · chain D against D, TM-score 1.00
- A5CAL1 · AlphaFold monomer V2.0 prediction for GLYOXYLATE/HYDROXYPYRUVATE/PYRUVATE reductase 2KGR… · a predicted model of the same protein · chain B 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 A5CAL1
- Elsewhere: RCSB PDB 6PEX · PDBe 6PEX · UniProt A5CAL1
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