Research workbench
Crystal structures of clostridium thermocellum xyloglucanase
Analyse Crystal structures of clostridium thermocellum xyloglucanase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 2CN2
- Type
- protein
- Length
- 2,816 residues
- Chains
- 4
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Beta-1,4-xyloglucan hydrolase
- EC
- 3.2.1.151
- UniProt
- Q70DK5
- Ligands
- CD
- Pockets
- 20 · best druggability 0.87
Structure
x-ray diffraction · 1 distinct chain · 3% helix, 38% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B, C, D | Beta-1,4-xyloglucan hydrolase (EC 3.2.1.151) | protein | 704 | 3% helix, 38% strand | Q70DK5 |
Ligands and binding sites
- CD · Cadmium ion · metal · 15 copies · chains A, C, B, 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, 14 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 1012 | 0.87 | 0.88 | 123 | empty |
| 2 | 492 | 0.82 | 0.89 | 43 | CD |
| 3 | 507 | 0.81 | 0.88 | 43 | CD |
| 4 | 495 | 0.81 | 0.88 | 44 | CD |
| 5 | 492 | 0.81 | 0.87 | 41 | CD |
Interfaces
6 interfaces between chains.
- B–D · 676 Ų buried · 8 hydrogen bonds · protein-protein
- A–C · 600 Ų buried · 5 hydrogen bonds · protein-protein
- B–C · 429 Ų buried · 0 hydrogen bonds · protein-protein
- A–D · 411 Ų buried · 0 hydrogen bonds · protein-protein
- A–B · 225 Ų buried · 4 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 72 modified (engineered).
Compared structures
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 Q70DK5
- Elsewhere: RCSB PDB 2CN2 · PDBe 2CN2 · UniProt Q70DK5
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