MolNFT v1 · #121840 · protein
Crystal structure of a beta-1,4-endoglucanase from aspergillus niger
5I78 · Endo-beta-1, 4-glucanase: “Crystal structure of a beta-1,4-endoglucanase from aspergillus niger”. X-ray diffraction, 2 ligands (NAG, CA), 3 pockets (best druggability 0.62). MolNFT v1 #121840 on GenesisL1: 3D structure, binding…
- PDB
- 5I78
- Type
- protein
- Length
- 610 residues
- Chains
- 2
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Endo-beta-1, 4-glucanase
- UniProt
- A0A023UH08
- Ligands
- NAG, CA
- Pockets
- 3 · best druggability 0.62
Structure
x-ray diffraction · 1 distinct chain · 37% helix, 19% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A, B | Endo-beta-1, 4-glucanase | protein | 305 | 37% helix, 19% strand | A0A023UH08 |
Ligands and binding sites
- NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 4 copies · chains A, B
- CA · Calcium ion · metal · 3 copies · chains A, B
- PGE · Triethylene glycol · additive · 7 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 | 332 | 0.62 | 0.79 | 40 | empty |
| 2 | 143 | 0.43 | 0.75 | 31 | PGE |
| 3 | 97 | 0.39 | 0.76 | 19 | PGE |
Interfaces
1 interface between chains.
- A–B · 324 Ų buried · 3 hydrogen bonds · protein-protein
Modifications
Observed in the structure: 4 glycan, 2 disulfide (N-glycosylation, disulfide).
Compared structures
- 5I78 · Crystal structure of a beta-1,4-endoglucanase from Aspergillus niger · 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 5I78 · PDBe 5I78 · UniProt A0A023UH08
GL1X is a live explorer of the GenesisL1 blockchain. Turn on JavaScript for search, charts and interactive views.