MolNFT v1 · #7492 · protein
The crystal structure of endoglucanase 9G from clostridium cellulolyticum
1G87 · Endocellulase 9G: “The crystal structure of endoglucanase 9G from clostridium cellulolyticum”. X-ray diffraction, 2 ligands (MG, CA), 8 pockets (best druggability 0.72). MolNFT v1 #7492 on GenesisL1: 3D structure, binding sites and…
- PDB
- 1G87
- Type
- protein
- Length
- 1,224 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endocellulase 9G
- EC
- 3.2.1.4
- UniProt
- P37700
- Ligands
- MG, CA
- Pockets
- 8 · best druggability 0.72
Structure
x-ray diffraction · 2 distinct chains · 39% helix, 16% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endocellulase 9G (EC 3.2.1.4) | protein | 611 | 39% helix, 16% strand | P37700 |
| B | Endocellulase 9G (EC 3.2.1.4) | protein | 613 | 38% helix, 17% strand | P37700 |
Ligands and binding sites
- MG · Magnesium ion · metal · 7 copies · chains A, B
- CA · Calcium ion · metal · 4 copies · chains A, B
- EDO · 1,2-ethanediol · additive · 11 copies · chains A, B
- GOL · Glycerol · additive · 6 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 | 657 | 0.72 | 0.79 | 70 | MG, GOL |
| 2 | 595 | 0.61 | 0.74 | 49 | empty |
| 3 | 278 | 0.57 | 0.77 | 38 | EDO |
| 4 | 234 | 0.52 | 0.76 | 27 | EDO |
| 5 | 52 | 0.45 | 0.84 | 18 | empty |
Interfaces
1 interface between chains.
- A–B · 289 Ų buried · 0 hydrogen bonds · protein-protein
Compared structures
- 1G87 · The crystal structure of endoglucanase 9G from clostridium cellulolyticum · 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 1G87 · PDBe 1G87 · UniProt P37700
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