MolNFT v1 · #152822 · protein
Crystal structure of GH30 xylanase B from talaromyces cellulolyticus
6IUJ: “Crystal structure of GH30 xylanase B from talaromyces cellulolyticus”. X-ray diffraction, 3 ligands (NAG, BMA, MAN), 8 pockets (best druggability 0.76). MolNFT v1 #152822 on GenesisL1: 3D structure, binding sites and pockets in GL1X.
- PDB
- 6IUJ
- Type
- protein
- Length
- 908 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- GH30 xylanase B
- Ligands
- NAG, BMA, MAN
- Pockets
- 8 · best druggability 0.76
Structure
x-ray diffraction · 1 distinct chain · 23% helix, 29% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | GH30 xylanase B | protein | 454 | 23% helix, 29% strand | — |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 21 copies · chains A, B
- BMA · beta-D-mannopyranose · sugar · 6 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 6 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
8 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 957 | 0.76 | 0.79 | 101 | empty |
| 2 | 135 | 0.42 | 0.75 | 28 | empty |
| 3 | 146 | 0.42 | 0.75 | 30 | empty |
| 4 | 51 | 0.39 | 0.81 | 17 | empty |
| 5 | 97 | 0.37 | 0.75 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 443 Ų buried · 0 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 12 glycan, 4 disulfide (N-glycosylation, disulfide).
Compared structures
- 6IUJ · Crystal structure of GH30 xylanase B from Talaromyces cellulolyticus · 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
- Elsewhere: RCSB PDB 6IUJ · PDBe 6IUJ
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