MolNFT v1 · #49786 · protein
Crystal structure of a glycoside hydrolase family 11 xylanase from bacillus subtilis in complex with xylotetraose
2QZ3 · Endo-1,4-beta-xylanase a: “Crystal structure of a glycoside hydrolase family 11 xylanase from bacillus subtilis in complex with…”. X-ray diffraction, 1 ligand (XYP), 3 pockets (best druggability 0.53). MolNFT v1 #49786 on GenesisL1…
- PDB
- 2QZ3
- Type
- protein
- Length
- 368 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-1,4-beta-xylanase a
- EC
- 3.2.1.8
- UniProt
- P18429
- Ligands
- XYP
- Pockets
- 3 · best druggability 0.53
Structure
x-ray diffraction · 1 distinct chain · 5% helix, 66% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-1,4-beta-xylanase a (EC 3.2.1.8) | protein | 184 | 5% helix, 66% strand | P18429 |
Ligands and binding sites
- XYP · beta-D-xylopyranose · sugar · 12 copies · chains A, B
- ACY · Acetic acid · additive · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 2 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 158 | 0.53 | 0.80 | 26 | XYP |
| 2 | 192 | 0.53 | 0.78 | 32 | XYP |
| 3 | 79 | 0.28 | 0.72 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 389 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 2QZ3 · Crystal structure of a glycoside hydrolase family 11 xylanase from Bacillus subtilis in… · 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 A against A, TM-score 0.99
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 2QZ3 · PDBe 2QZ3 · UniProt P18429
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