MolNFT v1 · #154675 · protein
Bifunctional XYLOSIDASE/GLUCOSIDASE lxyl mutant E529Q C2221
6KJ0 · Beta-D-XYLOSIDASE/BETA-D-glucosidase: “Bifunctional XYLOSIDASE/GLUCOSIDASE lxyl mutant E529Q C2221”. X-ray diffraction, 5 ligands (BKR, NAG, MAN), 16 pockets (best druggability 0.73). MolNFT v1 #154675 on GenesisL1: 3D structure…
- PDB
- 6KJ0
- Type
- protein
- Length
- 1,512 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-D-XYLOSIDASE/BETA-D-glucosidase
- UniProt
- G8GLP2
- Ligands
- BKR, NAG, MAN, BMA, XYP
- Pockets
- 16 · best druggability 0.73
Structure
x-ray diffraction · 1 distinct chain · 27% helix, 21% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Beta-D-XYLOSIDASE/BETA-D-glucosidase | protein | 756 | 27% helix, 21% strand | G8GLP2 |
Ligands and binding sites
- BKR · Deacetyltaxol · ligand · 2 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 20 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 12 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
- XYP · beta-D-xylopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
16 pockets found on a 1 Å grid, 9 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 61 | 0.73 | 0.99 | 20 | empty |
| 2 | 57 | 0.71 | 0.98 | 23 | empty |
| 3 | 418 | 0.68 | 0.80 | 51 | empty |
| 4 | 52 | 0.67 | 0.96 | 24 | empty |
| 5 | 448 | 0.67 | 0.79 | 69 | empty |
Interfaces
1 interface between chains.
- A–B · 878 Ų buried · 9 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 14 glycan, 6 disulfide (N-glycosylation, disulfide).
Compared structures
- 6KJ0 · Bifunctional xylosidase/glucosidase LXYL mutant E529Q C2221 · 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 G8GLP2
- Elsewhere: RCSB PDB 6KJ0 · PDBe 6KJ0 · UniProt G8GLP2
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.