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Structure of the cellobiohydrolase CEL6A from phanerochaete chrysosporium in complex with cellobiose at 2.1 ångström

Analyse Structure of the cellobiohydrolase CEL6A from phanerochaete chrysosporium in… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
5XCZ
Type
protein
Length
358 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glucanase
EC
3.2.1.-
UniProt
H3K419
Ligands
GLC, BGC
Pockets
1 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 39% helix, 12% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlucanase (EC 3.2.1.-)protein35839% helix, 12% strandH3K419

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · chains A
  • BGC · beta-D-glucopyranose · sugar · chains A
  • TRS · 2-amino-2-hydroxymethyl-propane-1,3-diol · additive · 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
12770.700.8541GLC, BGC, TRS

Modifications

Observed in the structure: 2 disulfide (disulfide).

Compared structures

  • 5XCZ · Structure of the cellobiohydrolase Cel6A from Phanerochaete chrysosporium in complex with… · the same entry in another collection · chain A against A, TM-score 1.00

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