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X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium thermocellum
Analyse X-ray structure of glucuronoxylan-xylanohydrolase (Xyn30A) from Clostridium… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 4CKQ
- Type
- protein
- Length
- 394 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v2 / PDB Bank
- Contract
- 0xd58B01f6C18086e5202cdC5D7Ad3E41790360102
- Owner
- 0xF4e1AA6f26B7DA48EeAD9B24a97927303eeA07b8
- Resolution
- 1.4
- Source
- CLOSTRIDIUM THERMOCELLUM; SYNTHETIC CONSTRUCT
- Molecule
- Carbohydrate binding family 6; 4 histidines from proteolysed his-tag
- EC
- 3.2.1.8
- UniProt
- C7HEF6
- Pockets
- 2 · best druggability 0.32
Structure
x-ray diffraction · resolution 1.4 · 2 distinct chains · 27% helix, 34% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Carbohydrate binding family 6 (EC 3.2.1.8) | protein | 390 | 27% helix, 34% strand | C7HEF6 |
| C | 4 histidines from proteolysed his-tag | protein | 4 | 0% helix, 0% strand | — |
Ligands and binding sites
- MLA · Malonic acid · additive · chains A, C
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 59 | 0.32 | 0.76 | 16 | empty |
| 2 | 57 | 0.27 | 0.73 | 18 | empty |
Interfaces
1 interface between chains.
- A–C · 349 Ų buried · 6 hydrogen bonds · protein-protein
Compared structures
- 4CKQ · X-ray structure of glucuronoxylan-xylanohydrolase (XYN30A) from clostridium thermocellum · 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 C7HEF6
- Elsewhere: RCSB PDB 4CKQ · PDBe 4CKQ · UniProt C7HEF6
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