MolNFT v1 · #145243 · protein
Crystal structure of aldo-keto reductase from klebsiella pneumoniae in complex with NADPH.
6CIA · ALDO/KETO reductase: “Crystal structure of aldo-keto reductase from klebsiella pneumoniae in complex with NADPH.”. X-ray diffraction, 1 ligand (NDP), 2 pockets (best druggability 0.63). MolNFT v1 #145243 on GenesisL1: 3D structure…
- PDB
- 6CIA
- Type
- protein
- Length
- 284 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- ALDO/KETO reductase
- EC
- 1.1.1.-
- UniProt
- W9BFN4
- Ligands
- NDP
- Pockets
- 2 · best druggability 0.63
Structure
x-ray diffraction · 1 distinct chain · 44% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | ALDO/KETO reductase (EC 1.1.1.-) | protein | 284 | 44% helix, 16% strand | W9BFN4 |
Ligands and binding sites
- NDP · Nadph dihydro-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 | 243 | 0.63 | 0.81 | 33 | NDP |
| 2 | 87 | 0.38 | 0.76 | 19 | empty |
Compared structures
- 6CIA · Crystal structure of aldo-keto reductase from Klebsiella pneumoniae in complex with NADPH. · 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 W9BFN4
- Elsewhere: RCSB PDB 6CIA · PDBe 6CIA · UniProt W9BFN4
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