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Crystal structure of ganp, a glucose-galactose binding protein from geobacillus stearothermophilus, in complex with galactose

Analyse Crystal structure of ganp, a glucose-galactose binding protein from geobacillus… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6GT9
Type
protein
Length
1,132 residues
Chains
4
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Putative sugar binding protein
UniProt
W8QN64
Ligands
GAL, SO4
Pockets
16 · best druggability 0.70

Structure

x-ray diffraction · 1 distinct chain · 45% helix, 20% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, C, DPutative sugar binding proteinprotein28345% helix, 20% strandW8QN64

Ligands and binding sites

  • GAL · beta-D-galactopyranose · sugar · 4 copies · chains A, B, C, D
  • SO4 · Sulfate ion · ion · 4 copies · chains A, B, C, D

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

Pockets

16 pockets found on a 1 Å grid, 7 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
14410.700.8158empty
24250.680.8039empty
33620.660.8046empty
43710.660.8038empty
52480.620.8138empty

Interfaces

5 interfaces between chains.

  • B–C · 962 Ų buried · 11 hydrogen bonds · protein-protein
  • A–D · 955 Ų buried · 8 hydrogen bonds · protein-protein
  • C–D · 403 Ų buried · 4 hydrogen bonds · protein-protein
  • A–B · 214 Ų buried · 0 hydrogen bonds · protein-protein
  • A–C · 73 Ų buried · 5 hydrogen bonds · protein-protein

Compared structures

  • 6GT9 · Crystal structure of GanP, a glucose-galactose binding protein from Geobacillus… · the same entry in another collection · chain A against A, TM-score 1.00

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