MolNFT v1 · #82627 · protein
The complex structure of xylc with xylobiose
3VSU · Xylosidase: “The complex structure of xylc with xylobiose”. X-ray diffraction, 1 ligand (XYP), 20 pockets (best druggability 0.85). MolNFT v1 #82627 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 3VSU
- Type
- protein
- Length
- 2,552 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylosidase
- EC
- 3.2.1.37
- UniProt
- A2ICH1
- Ligands
- XYP
- Pockets
- 20 · best druggability 0.85
Structure
x-ray diffraction · 1 distinct chain · 10% helix, 36% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Xylosidase (EC 3.2.1.37) | protein | 638 | 10% helix, 36% strand | A2ICH1 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 8 copies · chains A, B, C, D
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
20 pockets found on a 1 Å grid, 15 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 473 | 0.85 | 0.92 | 57 | empty |
| 2 | 488 | 0.85 | 0.92 | 71 | empty |
| 3 | 456 | 0.84 | 0.92 | 68 | empty |
| 4 | 433 | 0.84 | 0.92 | 46 | empty |
| 5 | 291 | 0.83 | 0.94 | 38 | empty |
Interfaces
6 interfaces between chains.
- B–C · 1949 Ų buried · 40 hydrogen bonds · protein-protein
- A–D · 1937 Ų buried · 40 hydrogen bonds · protein-protein
- C–D · 790 Ų buried · 11 hydrogen bonds · protein-protein
- A–B · 772 Ų buried · 6 hydrogen bonds · protein-protein
- A–C · 727 Ų buried · 21 hydrogen bonds · protein-protein
Compared structures
- 3VSU · The complex structure of XylC with xylobiose · 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 A2ICH1
- Elsewhere: RCSB PDB 3VSU · PDBe 3VSU · UniProt A2ICH1
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