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Cellobiohydrolase I CEL7A from trichoderma harzianum at 1.7 a resolution

Analyse Cellobiohydrolase I CEL7A from trichoderma harzianum at 1.7 a resolution in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2YOK
Type
protein
Length
426 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Exoglucanase 1
EC
3.2.1.91
UniProt
Q9P8P3
Ligands
NAG
Pockets
1 · best druggability 0.82

Structure

x-ray diffraction · 1 distinct chain · 14% helix, 36% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AExoglucanase 1 (EC 3.2.1.91)protein42614% helix, 36% strandQ9P8P3

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 3 copies · chains A
  • PE4 · 2-{2-[2-(2-{2-[2-(2-ethoxy-ethoxy)-ethoxy]-ethoxy}-ethoxy)-ethoxy]-ethoxy}-ethanol · additive · chains A
  • PEG · Di(hydroxyethyl)ether · 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
19460.820.8492PEG

Modifications

Observed in the structure: 10 disulfide, 3 glycan, 1 modified (disulfide, N-glycosylation, cyclization).

Compared structures

  • 2YOK · Cellobiohydrolase I Cel7A from Trichoderma harzianum at 1.7 A resolution · the same entry in another collection · chain A against A, TM-score 1.00
  • Q9P8P3 · AlphaFold monomer V2.0 prediction for exoglucanase 1 (Q9P8P3) · a predicted model of the same protein · chain A against A, TM-score 1.00

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