Research workbench
Structure of the endoglucanase CEL6 from mycobacterium tuberculosis in complex with methyl-cellobiosyl-4-deoxy-4-thio-beta-D-cellobioside at 1.6 ångström
Analyse Structure of the endoglucanase CEL6 from mycobacterium tuberculosis in complex… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.
- PDB
- 1UP3
- Type
- protein
- Length
- 293 residues
- Chains
- 1
- Method
- x-ray diffraction
- Collection
- MolNFT v1 / PDB
- Contract
- 0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
- Owner
- 0x3396CDB397284571d12822B4ae1189a8E22AAAAA
- Molecule
- Putative cellulase CEL6
- UniProt
- O53607
- Ligands
- 1PG, MGL, SGC, BGC, SO4
- Pockets
- 2 · best druggability 0.65
Structure
x-ray diffraction · 1 distinct chain · 38% helix, 13% strand (DSSP).
| Chain | Molecule | Type | Residues | Secondary structure | UniProt |
|---|---|---|---|---|---|
| A | Putative cellulase CEL6 | protein | 293 | 38% helix, 13% strand | O53607 |
Ligands and binding sites
- 1PG · 2-(2-{2-[2-(2-methoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethanol · ligand · 4 copies · chains A
- MGL · methyl beta-D-glucopyranoside · ligand
- SGC · 4-thio-beta-D-glucopyranose · ligand · chains A
- BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
- SO4 · Sulfate ion · ion · 3 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, 1 with a druggability of 0.5 or more.
| Volume (ų) | Druggability | Buriedness | Lining residues | Inside | |
|---|---|---|---|---|---|
| 1 | 311 | 0.65 | 0.81 | 46 | BGC |
| 2 | 55 | 0.47 | 0.85 | 16 | 1PG |
Modifications
Observed in the structure: 2 disulfide (disulfide).
Compared structures
- 1UP3 · Structure of the endoglucanase Cel6 from Mycobacterium tuberculosis in complex with… · 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 O53607
- Elsewhere: RCSB PDB 1UP3 · PDBe 1UP3 · UniProt O53607
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