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Structure of beta-1,4-galactanase

Analyse Structure of beta-1,4-galactanase in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
2CCR
Type
protein
Length
773 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Yvfo
EC
3.2.1.89
UniProt
Q65CX5
Ligands
GAL, CA
Pockets
4 · best druggability 0.67

Structure

x-ray diffraction · 2 distinct chains · 38% helix, 15% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AYvfo (EC 3.2.1.89)protein38638% helix, 15% strandQ65CX5
BYvfo (EC 3.2.1.89)protein38738% helix, 15% strandQ65CX5

Ligands and binding sites

  • GAL · beta-D-galactopyranose · sugar · 10 copies · chains A, B
  • CA · Calcium ion · metal · 2 copies · chains A, B
  • PGE · Triethylene glycol · additive · 2 copies · chains B

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

Pockets

4 pockets found on a 1 Å grid, 3 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
13810.670.8036GAL
23510.660.8036GAL
35040.620.7551empty
4530.250.7219empty

Interfaces

1 interface between chains.

  • A–B · 242 Ų buried · 0 hydrogen bonds · protein-protein

Compared structures

  • 2CCR · Structure of Beta-1,4-Galactanase · the same entry in another collection · chain A against A, TM-score 1.00
  • Q65CX5 · AlphaFold monomer V2.0 prediction for endo-beta-1,4-galactanase (Q65CX5) · a predicted model of the same protein · chain B against A, TM-score 1.00

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