Structure of PDB 2gal Chain A Binding Site BS01

Receptor Information

>2gal Chain A (length=133) Species: 9606 (Homo sapiens)

VPHKSSLPEGIRPGTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFNP
RLDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVVG
DAQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF

Ligand information

• Ligand ID: GAL
• InChI: InChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3+,4+,5-,6-/m1/s1
• InChIKey: WQZGKKKJIJFFOK-FPRJBGLDSA-N
• SMILES:
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
  OpenEye OEToolkits 1.7.2: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
  OpenEye OEToolkits 1.7.2: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
• Formula: C6 H12 O6
• Name: beta-D-galactopyranose;
  beta-D-galactose;
  D-galactose;
  galactose
• ChEMBL: CHEMBL300520
• ZINC: ZINC000002597049
• PDB chain: 2gal Chain A Residue 998

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2gal Structural basis for the recognition of carbohydrates by human galectin-7.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H49 R53 N62 W69 E72
• Binding residue (residue number reindexed from 1): H47 R51 N60 W67 E70
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0030246 carbohydrate binding

Biological Process

• GO:0006915 apoptotic process
• GO:0007157 heterophilic cell-cell adhesion via plasma membrane cell adhesion molecules

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0070062 extracellular exosome

External links

• PDB: RCSB:2gal, PDBe:2gal, PDBj:2gal
• PDBsum: 2gal
• PubMed: 9760227
• UniProt: P47929|LEG7_HUMAN Galectin-7 (Gene Name=LGALS7)