MolNFT v1 · #93016 · protein
Crystal structure of AKR1B10 complexed with NADP+ and caffeic acid phenethyl ester
4GQ0 · Aldo-keto reductase family 1 member B10: “Crystal structure of AKR1B10 complexed with NADP+ and caffeic acid phenethyl ester”. X-ray diffraction, 2 ligands (QAP, NAP), 2 pockets (best druggability 0.74). MolNFT v1 #93016 on…
- PDB
- 4GQ0
- Type
- protein
- Length
- 318 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Aldo-keto reductase family 1 member B10
- EC
- 1.1.1.-
- UniProt
- O60218
- Ligands
- QAP, NAP
- Pockets
- 2 · best druggability 0.74
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 15% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Aldo-keto reductase family 1 member B10 (EC 1.1.1.-) | protein | 318 | 37% helix, 15% strand | O60218 |
Ligands and binding sites
- QAP · 2-phenylethyl (2E)-3-(3,4-dihydroxyphenyl)prop-2-enoate · ligand · chains A
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 356 | 0.74 | 0.85 | 52 | QAP, NAP |
| 2 | 58 | 0.31 | 0.75 | 23 | empty |
Compared structures
- 4GQ0 · Crystal structure of AKR1B10 complexed with NADP+ and Caffeic acid phenethyl ester · the same entry in another collection · chain A against A, TM-score 1.00
- O60218 · AlphaFold monomer V2.0 prediction for aldo-keto reductase family 1 member B10 (O60218) · 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 O60218
- Elsewhere: RCSB PDB 4GQ0 · PDBe 4GQ0 · UniProt O60218
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