MolNFT v1 · #41142 · protein
Family 12 xyloglucanase from bacillus licheniformis in complex with ligand
2JEN · Endo-beta-1,4-glucanase: “Family 12 xyloglucanase from bacillus licheniformis in complex with ligand”. X-ray diffraction, 4 ligands (GLC, XYS, BGC), 1 pocket (best druggability 0.54). MolNFT v1 #41142 on GenesisL1: 3D structure…
- PDB
- 2JEN
- Type
- protein
- Length
- 233 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1,4-glucanase
- EC
- 3.2.1.4, 3.2.1.151
- UniProt
- Q7X4S4
- Ligands
- GLC, XYS, BGC, SO4
- Pockets
- 1 · best druggability 0.54
Structure
x-ray diffraction · 1 distinct chain · 6% helix, 55% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-beta-1,4-glucanase (EC 3.2.1.4, 3.2.1.151) | protein | 233 | 6% helix, 55% strand | Q7X4S4 |
Ligands and binding sites
- GLC · alpha-D-glucopyranose · sugar · 4 copies · chains A
- XYS · alpha-D-xylopyranose · sugar · 4 copies · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- SO4 · Sulfate ion · ion · 2 copies · chains A
- DIO · 1,4-diethylene dioxide · additive · 2 copies · chains A
- GOL · Glycerol · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 198 | 0.54 | 0.78 | 26 | GLC, XYS |
Compared structures
- 2JEN · Family 12 xyloglucanase from Bacillus licheniformis in complex with ligand · 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 Q7X4S4
- Elsewhere: RCSB PDB 2JEN · PDBe 2JEN · UniProt Q7X4S4
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