MolNFT v1 · #83510 · protein
Crystal structure of cellobiose 2-epimerase in complex with epilactose
3WKH: “Crystal structure of cellobiose 2-epimerase in complex with epilactose”. X-ray diffraction, 4 ligands (BMA, GAL, CL), 2 pockets (best druggability 0.67). MolNFT v1 #83510 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3WKH
- Type
- protein
- Length
- 410 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Cellobiose 2-epimerase
- EC
- 5.1.3.11
- UniProt
- F8WRK9
- Ligands
- BMA, GAL, CL, PO4
- Pockets
- 2 · best druggability 0.67
Structure
x-ray diffraction · 1 distinct chain · 54% helix, 11% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Cellobiose 2-epimerase (EC 5.1.3.11) | protein | 410 | 54% helix, 11% strand | F8WRK9 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · chains A
- GAL · beta-D-galactopyranose · sugar · chains A
- CL · Chloride ion · ion · chains A
- PO4 · Phosphate ion · ion · 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 | 274 | 0.67 | 0.83 | 33 | BMA, GAL |
| 2 | 183 | 0.49 | 0.77 | 24 | empty |
Compared structures
- 3WKH · Crystal structure of cellobiose 2-epimerase in complex with epilactose · the same entry in another collection · chain A against A, TM-score 1.00
- F8WRK9 · AlphaFold monomer V2.0 prediction for cellobiose 2-epimerase (F8WRK9) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 F8WRK9
- Elsewhere: RCSB PDB 3WKH · PDBe 3WKH · UniProt F8WRK9
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