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Crystal structure of sclam E144S mutant, a non-specific endo-beta-1, 3(4)-glucanase from family GH16, co-crystallized with cellohexaose, presenting a 1,3-beta-D-cellobiosyl-glucose at active site

Analyse Crystal structure of sclam E144S mutant, a non-specific endo-beta-1… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XQL
Type
protein
Length
259 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
GH16 family protein
EC
3.2.1.39
UniProt
A0A0B5H9B3
Ligands
BGC, GLC, CA
Pockets
1 · best druggability 0.63

Structure

x-ray diffraction · 1 distinct chain · 4% helix, 44% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGH16 family protein (EC 3.2.1.39)protein2594% helix, 44% strandA0A0B5H9B3

Ligands and binding sites

  • BGC · beta-D-glucopyranose · sugar · 2 copies · chains A
  • GLC · alpha-D-glucopyranose · sugar · chains A
  • CA · Calcium ion · metal · 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
12880.630.8039GLC, BGC

Modifications

Observed in the structure: 1 disulfide (disulfide).

Compared structures

  • 6XQL · Crystal structure of SCLam E144S mutant, a non-specific endo-beta-1,3(4)-glucanase from… · the same entry in another collection · chain A against A, TM-score 1.00

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