MolNFT v1 · #103924 · protein
Crystal structure of yeast methylglyoxal/ isovaleraldehyde reductase GRE2
4PVC · NADPH-dependent methylglyoxal reductase GRE2: “Crystal structure of yeast methylglyoxal/ isovaleraldehyde reductase GRE2”. X-ray diffraction, 9 pockets (best druggability 0.83). MolNFT v1 #103924 on GenesisL1: 3D structure, binding…
- PDB
- 4PVC
- Type
- protein
- Length
- 684 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH-dependent methylglyoxal reductase GRE2
- EC
- 1.1.1.283, 1.1.1.265
- UniProt
- Q12068
- Pockets
- 9 · best druggability 0.83
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NADPH-dependent methylglyoxal reductase GRE2 (EC 1.1.1.283, 1.1.1.265) | protein | 342 | 42% helix, 16% strand | Q12068 |
Pockets
9 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 466 | 0.83 | 0.90 | 65 | empty |
| 2 | 476 | 0.83 | 0.90 | 62 | empty |
| 3 | 279 | 0.57 | 0.77 | 26 | empty |
| 4 | 51 | 0.54 | 0.88 | 11 | empty |
| 5 | 75 | 0.47 | 0.83 | 24 | empty |
Interfaces
1 interface between chains.
- A–B · 1141 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4PVC · Crystal structure of yeast methylglyoxal/ isovaleraldehyde reductase Gre2 · the same entry in another collection · chain A against A, TM-score 1.00
- Q12068 · AlphaFold monomer V2.0 prediction for NADPH-dependent methylglyoxal reductase GRE2… · 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 Q12068
- Elsewhere: RCSB PDB 4PVC · PDBe 4PVC · UniProt Q12068
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