MolNFT v1 · #4350 · protein
Novel NADPH-binding domain revealed by the crystal structure of aldose reductase
1DLA: “Novel NADPH-binding domain revealed by the crystal structure of aldose reductase”. X-ray diffraction, 2 pockets (best druggability 0.35). MolNFT v1 #4350 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 1DLA
- Type
- protein
- Length
- 1,242 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldose reductase
- EC
- 1.1.1.21
- UniProt
- P80276
- Pockets
- 2 · best druggability 0.35
Structure
x-ray diffraction · 4 distinct chains · 0% helix, 0% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldose reductase (EC 1.1.1.21) | protein | 309 | 0% helix, 0% strand | P80276 |
| B | Aldose reductase (EC 1.1.1.21) | protein | 314 | 0% helix, 0% strand | P80276 |
| C | Aldose reductase (EC 1.1.1.21) | protein | 311 | 0% helix, 0% strand | P80276 |
| D | Aldose reductase (EC 1.1.1.21) | protein | 308 | 0% helix, 0% strand | P80276 |
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 84 | 0.35 | 0.73 | 23 | empty |
| 2 | 64 | 0.30 | 0.72 | 19 | empty |
Interfaces
4 interfaces between chains.
- B–D · 34 Ų buried · 0 hydrogen bonds · protein-protein
- A–C · 34 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 32 Ų buried · 0 hydrogen bonds · protein-protein
- C–D · 32 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1DLA · Novel NADPH-binding domain revealed by the crystal structure of aldose reductase · the same entry in another collection · chain D against D, TM-score 1.00
- P80276 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member B1 (P80276) · a predicted model of the same protein · chain D 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 P80276
- Elsewhere: RCSB PDB 1DLA · PDBe 1DLA · UniProt P80276
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