Research workbench
Crystal structure of the triticum xylanse inhibitor-I in complex with bacillus subtilis xylanase
Analyse Crystal structure of the triticum xylanse inhibitor-I in complex with bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2B42
- Type
- protein
- Length
- 548 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Xylanase inhibitor-I; Endo-1,4-beta-xylanase a
- EC
- 3.2.1.8
- UniProt
- P18429
- Pockets
- 5 · best druggability 0.58
Structure
x-ray diffraction · 2 distinct chains · 11% helix, 47% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Xylanase inhibitor-I | protein | 364 | 14% helix, 38% strand | — |
| B | Endo-1,4-beta-xylanase a (EC 3.2.1.8) | protein | 184 | 5% helix, 66% strand | P18429 |
Pockets
5 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 255 | 0.58 | 0.78 | 41 | empty |
| 2 | 91 | 0.51 | 0.83 | 20 | empty |
| 3 | 135 | 0.48 | 0.78 | 25 | empty |
| 4 | 171 | 0.43 | 0.74 | 32 | empty |
| 5 | 126 | 0.42 | 0.75 | 29 | empty |
Interfaces
1 interface between chains.
- A–B · 1328 Ų buried · 24 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 5 disulfide (disulfide).
Compared structures
- 2B42 · Crystal structure of the Triticum xylanse inhibitor-I in complex with bacillus subtilis… · the same entry in another collection · chain A against A, TM-score 1.00
- P18429 · AlphaFold monomer V2.0 prediction for endo-1,4-beta-xylanase a (P18429) · a predicted model of the same protein · chain B against A, TM-score 0.98
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 P18429
- Elsewhere: RCSB PDB 2B42 · PDBe 2B42 · UniProt P18429
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