MolNFT v1 · #124424 · protein
Structure of the aldo-keto reductase from coptotermes gestroi
5KET · Aldo-keto reductase 1: “Structure of the aldo-keto reductase from coptotermes gestroi”. X-ray diffraction, 1 ligand (NAP), 3 pockets (best druggability 0.80). MolNFT v1 #124424 on GenesisL1: 3D structure, binding sites and pockets…
- PDB
- 5KET
- Type
- protein
- Length
- 642 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase 1
- UniProt
- A0A140CVV2
- Ligands
- NAP
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 2 distinct chains · 41% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldo-keto reductase 1 | protein | 328 | 41% helix, 15% strand | A0A140CVV2 |
| B | Aldo-keto reductase 1 | protein | 314 | 41% helix, 14% strand | A0A140CVV2 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 574 | 0.80 | 0.85 | 59 | NAP |
| 2 | 717 | 0.74 | 0.80 | 84 | empty |
| 3 | 381 | 0.69 | 0.81 | 43 | NAP |
Interfaces
1 interface between chains.
- A–B · 717 Ų buried · 8 hydrogen bonds · protein-protein
Compared structures
- 5KET · Structure of the aldo-keto reductase from Coptotermes gestroi · the same entry in another collection · chain A against A, TM-score 1.00
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 A0A140CVV2
- Elsewhere: RCSB PDB 5KET · PDBe 5KET · UniProt A0A140CVV2
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