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Structure of fungal beta-mannosidase from glycoside hydrolase family 2 of trichoderma harzianum

Analyse Structure of fungal beta-mannosidase from glycoside hydrolase family 2 of… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4CVU
Type
protein
Length
913 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Beta-mannosidase
Ligands
MAN, NAG, BMA, CD, NA, CA, CL
Pockets
9 · best druggability 0.81

Structure

x-ray diffraction · 1 distinct chain · 25% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ABeta-mannosidaseprotein91325% helix, 31% strand—

Ligands and binding sites

  • MAN · alpha-D-mannopyranose · sugar · 16 copies · chains A
  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 15 copies · chains A
  • BMA · beta-D-mannopyranose · sugar · 4 copies · chains A
  • CD · Cadmium ion · metal · 17 copies · chains A
  • NA · Sodium ion · metal · 6 copies · chains A
  • CA · Calcium ion · metal · chains A
  • CL · Chloride ion · ion · chains A
  • PG4 · Tetraethylene glycol · 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

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11630.810.9619empty
2860.660.9224CD
32380.560.7828empty
42230.550.7832CD
51420.550.8232empty

Modifications

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

Compared structures

  • 4CVU · Structure of Fungal beta-mannosidase from Glycoside Hydrolase Family 2 of Trichoderma… · the same entry in another collection · chain A against A, TM-score 1.00

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