Research workbench
Cellobiose-derived imidazole complex of the endoglucanase CEL5A from bacillus agaradhaerens at 0.97 a resolution
Analyse Cellobiose-derived imidazole complex of the endoglucanase CEL5A from bacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 8A3H
- Type
- protein
- Length
- 300 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Protein (endoglucanase)
- EC
- 3.2.1.4
- UniProt
- P06565
- Ligands
- IDC, SO4
- Pockets
- 1 · best druggability 0.46
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Protein (endoglucanase) (EC 3.2.1.4) | protein | 300 | 42% helix, 19% strand | P06565 |
Ligands and binding sites
- IDC · (5R,6R,7R,8S)-7,8-dihydroxy-5-(hydroxymethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl beta-D-glucopyranoside · ligand · chains A
- SO4 · Sulfate ion · ion
- GOL · Glycerol · additive · 7 copies · chains A
- ACT · Acetate ion · additive · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 125 | 0.46 | 0.78 | 25 | IDC |
Compared structures
- 8A3H · Cellobiose-derived imidazole complex of the endoglucanase cel5A from Bacillus… · the same entry in another collection · chain A against A, TM-score 1.00
- P06565 · AlphaFold monomer V2.0 prediction for endoglucanase B (P06565) · a predicted model of the same protein · 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 P06565
- Elsewhere: RCSB PDB 8A3H · PDBe 8A3H · UniProt P06565
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