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Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex with methyl-4II-S-alpha-cellobiosyl-4II-thio- beta-cellobioside
Analyse Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1E5J
- Type
- protein
- Length
- 302 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase 5A
- EC
- 3.2.1.4
- UniProt
- O85465
- Ligands
- SGC, MGL, GLC, CA
- Pockets
- 2 · best druggability 0.42
Structure
x-ray diffraction · 1 distinct chain · 42% helix, 20% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endoglucanase 5A (EC 3.2.1.4) | protein | 302 | 42% helix, 20% strand | O85465 |
Ligands and binding sites
- SGC · 4-thio-beta-D-glucopyranose · ligand · 2 copies · chains A
- MGL · methyl beta-D-glucopyranoside · ligand · chains A
- GLC · alpha-D-glucopyranose · sugar · chains A
- CA · Calcium ion · metal · 4 copies · chains A
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 127 | 0.42 | 0.76 | 25 | SGC |
| 2 | 108 | 0.37 | 0.74 | 19 | empty |
Compared structures
- 1E5J · Endoglucanase CEL5A from bacillus agaradhaerens in the tetragonal crystal form in complex… · the same entry in another collection · chain A against A, TM-score 1.00
- O85465 · AlphaFold monomer V2.0 prediction for endoglucanase 5A (O85465) · a predicted model of the same protein · chain A against A, TM-score 0.99
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 O85465
- Elsewhere: RCSB PDB 1E5J · PDBe 1E5J · UniProt O85465
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