Research workbench
Crystal structure of NADP+ bound ketoreductase from lactobacillus kefir
Analyse Crystal structure of NADP+ bound ketoreductase from lactobacillus kefir in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4RF2
- Type
- protein
- Length
- 500 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- NADPH dependent R-specific alcohol dehydrogenase
- UniProt
- Q6WVP7
- Ligands
- NAP, MG
- Pockets
- 5 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 47% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | NADPH dependent R-specific alcohol dehydrogenase | protein | 250 | 47% helix, 16% strand | Q6WVP7 |
Ligands and binding sites
- NAP · Nadp nicotinamide-adenine-dinucleotide phosphate · ligand · 2 copies · chains A, B
- MG · Magnesium ion · metal · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 392 | 0.76 | 0.86 | 44 | NAP |
| 2 | 366 | 0.76 | 0.86 | 43 | NAP |
| 3 | 74 | 0.42 | 0.80 | 17 | empty |
| 4 | 74 | 0.37 | 0.77 | 15 | empty |
| 5 | 79 | 0.36 | 0.76 | 15 | empty |
Interfaces
1 interface between chains.
- A–B · 1611 Ų buried · 17 hydrogen bonds · protein-protein
Compared structures
- 4RF2 · Crystal structure of NADP+ bound ketoreductase from Lactobacillus kefir · 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 Q6WVP7
- Elsewhere: RCSB PDB 4RF2 · PDBe 4RF2 · UniProt Q6WVP7
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