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Structure of the endoglucanase CEL6 from mycobacterium tuberculosis in complex with thiocellopentaose at 1.1 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
1UOZ
Type
protein
Length
300 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative cellulase
UniProt
O53607
Ligands
SSG, GLC, SGC, SO4
Pockets
1 · best druggability 0.64

Structure

x-ray diffraction · 1 distinct chain · 37% helix, 13% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APutative cellulaseprotein30037% helix, 13% strandO53607

Ligands and binding sites

  • SSG · 1,4-dithio-beta-D-glucopyranose · ligand · 2 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • SGC · 4-thio-beta-D-glucopyranose · ion
  • SO4 · Sulfate ion · ion · chains A
  • GOL · Glycerol · additive · 2 copies · chains A

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.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12480.640.8237SSG, GLC, GOL

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 1UOZ · 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

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