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Crystal structure of a beta-1,4-endoglucanase mutant from aspergillus niger in complex with sugar
Analyse Crystal structure of a beta-1,4-endoglucanase mutant from aspergillus niger in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 5I79
- Type
- protein
- Length
- 606 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1, 4-glucanase
- UniProt
- A0A023UH08
- Ligands
- BGC, NAG, CA
- Pockets
- 1 · best druggability 0.71
Structure
x-ray diffraction · 2 distinct chains · 38% helix, 18% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Endo-beta-1, 4-glucanase | protein | 302 | 38% helix, 18% strand | A0A023UH08 |
| B | Endo-beta-1, 4-glucanase | protein | 304 | 37% helix, 19% strand | A0A023UH08 |
Ligands and binding sites
- BGC · beta-D-glucopyranose · sugar · 8 copies · chains A, B
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 2 copies · chains A, B
- CA · Calcium ion · metal · 2 copies · chains B
- PGE · Triethylene glycol · additive · 3 copies · chains A, B
Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.
Pockets
1 pocket found on a 1 Å grid, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 875 | 0.71 | 0.76 | 103 | BGC, PGE |
Interfaces
1 interface between chains.
- A–B · 377 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 2 disulfide, 2 glycan (disulfide, N-glycosylation).
Compared structures
- 5I79 · Crystal structure of a beta-1,4-endoglucanase mutant from Aspergillus niger in complex… · 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 A0A023UH08
- Elsewhere: RCSB PDB 5I79 · PDBe 5I79 · UniProt A0A023UH08
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