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Crystal structure of streptococcal beta-galactosidase in complex with galactose

Analyse Crystal structure of streptococcal beta-galactosidase in complex with galactose in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4E8C
Type
protein
Length
1,183 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Glycosyl hydrolase, family 35
EC
3.2.1.23
UniProt
Q97T90
Ligands
GAL
Pockets
12 · best druggability 0.73

Structure

x-ray diffraction · 2 distinct chains · 26% helix, 33% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AGlycosyl hydrolase, family 35 (EC 3.2.1.23)protein59426% helix, 33% strandQ97T90
BGlycosyl hydrolase, family 35 (EC 3.2.1.23)protein58927% helix, 33% strandQ97T90

Ligands and binding sites

  • GAL · beta-D-galactopyranose · sugar · 2 copies · chains A, B
  • GOL · Glycerol · additive · 15 copies · chains A, B

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

Pockets

12 pockets found on a 1 Å grid, 8 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
17810.730.7970empty
25050.700.8038GOL
34340.650.7838empty
44070.640.7736GOL
52470.610.8140GAL

Interfaces

1 interface between chains.

  • A–B · 1549 Ų buried · 19 hydrogen bonds · protein-protein

Compared structures

  • 4E8C · Crystal structure of streptococcal beta-galactosidase in complex with galactose · the same entry in another collection · chain A against A, TM-score 1.00

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