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The crystal structure of endoglucanase 9G from clostridium cellulolyticum complexed with cellobiose
Analyse The crystal structure of endoglucanase 9G from clostridium cellulolyticum… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1GA2
- Type
- protein
- Length
- 1,224 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, MG, CA
- Pockets
- 7 · best druggability 0.73
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 17% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase 9G (EC 3.2.1.4) | protein | 611 | 39% helix, 17% strand | P37700 |
| B | Endoglucanase 9G (EC 3.2.1.4) | protein | 613 | 38% helix, 17% strand | P37700 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 7 copies · chains A, B
- MG · Magnesium ion · metal · 7 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- GOL · Glycerol · additive · 5 copies · chains A, B
- ACY · Acetic acid · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
7 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 544 | 0.73 | 0.81 | 65 | MG, GOL |
| 2 | 260 | 0.56 | 0.77 | 34 | BGC, MG |
| 3 | 281 | 0.54 | 0.75 | 31 | empty |
| 4 | 264 | 0.53 | 0.76 | 43 | BGC |
| 5 | 60 | 0.38 | 0.80 | 19 | empty |
Interfaces
1 interface between chains.
- A–B · 276 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1GA2 · The crystal structure of endoglucanase 9G from clostridium cellulolyticum complexed with… · the same entry in another collection · chain A against A, TM-score 1.00
- P37700 · AlphaFold monomer V2.0 prediction for endoglucanase G (P37700) · a predicted model of the same protein · chain B 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 P37700
- Elsewhere: RCSB PDB 1GA2 · PDBe 1GA2 · UniProt P37700
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