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Exo-beta-1,3-glucanase from moose rumen microbiome, active site mutant E167Q/E295Q

Analyse Exo-beta-1,3-glucanase from moose rumen microbiome, active site mutant… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6ZB8
Type
protein
Length
737 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exo-beta-1,3-glucanase variant E167Q/E295Q
EC
3.2.1.58
Pockets
6 · best druggability 0.72

Structure

x-ray diffraction · 2 distinct chains · 45% helix, 11% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExo-beta-1,3-glucanase variant E167Q/E295Q (EC 3.2.1.58)protein36746% helix, 11% strand—
BExo-beta-1,3-glucanase variant E167Q/E295Q (EC 3.2.1.58)protein37045% helix, 11% strand—

Ligands and binding sites

  • 15P · Polyethylene glycol (N=34) · additive · 2 copies · chains A, B

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

6 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
15240.720.813815P
27270.710.787715P
3630.710.9821empty
42610.590.7933empty
5910.360.7514empty

Interfaces

1 interface between chains.

  • A–B · 1697 Ų buried · 34 hydrogen bonds · protein-protein

Compared structures

  • 6ZB8 · Exo-beta-1,3-glucanase from moose rumen microbiome, active site mutant E167Q/E295Q · the same entry in another collection · chain A against A, TM-score 1.00

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