Research workbench
Crystal structure of apo-2,5-diketo-D-gluconate reductase
Analyse Crystal structure of apo-2,5-diketo-D-gluconate reductase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1HW6
- Type
- protein
- Length
- 257 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- 2,5-diketo-D-gluconic acid reductase
- EC
- 1.1.1.-
- UniProt
- P06632
- Ligands
- MG, CL
- Pockets
- 4 · best druggability 0.58
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | 2,5-diketo-D-gluconic acid reductase (EC 1.1.1.-) | protein | 257 | 45% helix, 18% strand | P06632 |
Ligands and binding sites
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
4 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 175 | 0.58 | 0.81 | 38 | CL |
| 2 | 80 | 0.42 | 0.79 | 22 | empty |
| 3 | 57 | 0.35 | 0.78 | 16 | empty |
| 4 | 55 | 0.27 | 0.74 | 22 | empty |
Compared structures
- 1HW6 · Crystal structure of apo-2,5-diketo-D-gluconate reductase · the same entry in another collection · chain A against A, TM-score 1.00
- P06632 · AlphaFold monomer V2.0 prediction for 2,5-diketo-D-gluconic acid reductase a (P06632) · a predicted model of the same protein · chain A against A, TM-score 0.95
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 P06632
- Elsewhere: RCSB PDB 1HW6 · PDBe 1HW6 · UniProt P06632
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