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The X-ray crystal structure of CEL9G complexed with cellotriose
Analyse The X-ray crystal structure of CEL9G complexed with cellotriose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1K72
- Type
- protein
- Length
- 1,225 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase 9G
- EC
- 3.2.1.4
- UniProt
- P37700
- Ligands
- BGC, GLC, CA, MG
- Pockets
- 8 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase 9G (EC 3.2.1.4) | protein | 612 | 39% helix, 16% strand | P37700 |
| B | Endoglucanase 9G (EC 3.2.1.4) | protein | 613 | 37% helix, 16% strand | P37700 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 4 copies · chains A, B
- MG · Magnesium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 2 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, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 647 | 0.71 | 0.78 | 69 | empty |
| 2 | 634 | 0.63 | 0.74 | 60 | empty |
| 3 | 190 | 0.54 | 0.78 | 25 | BGC, MG |
| 4 | 192 | 0.50 | 0.76 | 26 | empty |
| 5 | 55 | 0.45 | 0.84 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 328 Ų buried · 1 hydrogen bond · protein-protein
Modifications
Observed in the structure: 2 modified (methylation).
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 P37700
- Elsewhere: RCSB PDB 1K72 · PDBe 1K72 · UniProt P37700
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