Research workbench
Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A structures in complex with mannotriose
Analyse Diverse substrates recognition mechanism revealed by thermotoga maritima CEL5A… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 3AZS
- Type
- protein
- Length
- 616 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endoglucanase
- EC
- 3.2.1.4
- UniProt
- Q9X273
- Ligands
- BMA, MAN
- Pockets
- 3 · best druggability 0.80
Structure
x-ray diffraction · 1 distinct chain · 45% helix, 14% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endoglucanase (EC 3.2.1.4) | protein | 308 | 45% helix, 14% strand | Q9X273 |
Ligands and binding sites
- BMA · beta-D-mannopyranose · sugar · 4 copies · chains A, B
- MAN · alpha-D-mannopyranose · sugar · 2 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
3 pockets found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 992 | 0.80 | 0.82 | 98 | MAN, BMA |
| 2 | 66 | 0.41 | 0.80 | 13 | empty |
| 3 | 91 | 0.36 | 0.75 | 17 | empty |
Interfaces
1 interface between chains.
- A–B · 838 Ų buried · 10 hydrogen bonds · protein-protein
Compared structures
- 3AZS · Diverse Substrates Recognition Mechanism Revealed by Thermotoga maritima Cel5A Structures… · the same entry in another collection · 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 Q9X273
- Elsewhere: RCSB PDB 3AZS · PDBe 3AZS · UniProt Q9X273
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