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Crystal structure of human galectin-7 in complex with 4-O-beta-D- galactopyranosyl-D-glucose

Analyse Crystal structure of human galectin-7 in complex with 4-O-beta-D… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6VTO
Type
protein
Length
268 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Galectin-7
UniProt
P47929
Ligands
LBL
Pockets
2 · best druggability 0.28

Structure

x-ray diffraction · 1 distinct chain · 2% helix, 54% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, BGalectin-7protein1342% helix, 54% strandP47929

Ligands and binding sites

  • LBL · (2~{R},3~{R},4~{R},5~{R})-4-[(2~{S},3~{R},4~{S},5~{R}, 6~{R})-6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2,3,5, 6-tetrakis(oxidanyl)hexanal · ligand · 2 copies · chains A, B

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

Pockets

2 pockets found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1630.280.7413empty
2560.260.7315empty

Interfaces

1 interface between chains.

  • A–B · 831 Ų buried · 18 hydrogen bonds · protein-protein

Compared structures

  • 6VTO · Crystal structure of human Galectin-7 in complex with… · the same entry in another collection · chain A against A, TM-score 1.00
  • P47929 · AlphaFold monomer V2.0 prediction for galectin-7 (P47929) · a predicted model of the same protein · chain A against A, TM-score 0.98

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