Structure of PDB 3gal Chain A Binding Site BS01

Receptor Information

>3gal Chain A (length=134) Species: 9606 (Homo sapiens)

NVPHKSSLPEGIRPGTVLRIRGLVPPNASRFHVNLLCGEEQGSDAALHFN
PRLDTSEVVFNSKEQGSWGREERGPGVPFQRGQPFEVLIIASDDGFKAVV
GDAQYHHFRHRLPLARVRLVEVGGDVQLDSVRIF

Ligand information

• Ligand ID: 1GN
• InChI: InChI=1S/C6H13NO5/c7-3-5(10)4(9)2(1-8)12-6(3)11/h2-6,8-11H,1,7H2/t2-,3-,4+,5-,6-/m1/s1
• InChIKey: MSWZFWKMSRAUBD-VFUOTHLCSA-N
• SMILES:
  CACTVS 3.341: N[C@H]1[C@H](O)O[C@H](CO)[C@H](O)[C@@H]1O
  CACTVS 3.341: N[CH]1[CH](O)O[CH](CO)[CH](O)[CH]1O
  OpenEye OEToolkits 1.5.0: C(C1C(C(C(C(O1)O)N)O)O)O
  OpenEye OEToolkits 1.5.0: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)N)O)O)O
  ACDLabs 10.04: OC1C(O)C(OC(O)C1N)CO
• Formula: C6 H13 N O5
• Name: 2-amino-2-deoxy-beta-D-galactopyranose;
  beta-D-galactosamine;
  2-amino-2-deoxy-beta-D-galactose;
  2-amino-2-deoxy-D-galactose;
  2-amino-2-deoxy-galactose;
  2-DEOXY-2-AMINOGALACTOSE
• DrugBank: DB02678
• ZINC: ZINC000003861073
• PDB chain: 3gal Chain A Residue 998

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3gal Structural basis for the recognition of carbohydrates by human galectin-7.
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): H49 R53 N62 W69 E72
• Binding residue (residue number reindexed from 1): H48 R52 N61 W68 E71
• 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:3gal, PDBe:3gal, PDBj:3gal
• PDBsum: 3gal
• PubMed: 9760227
• UniProt: P47929|LEG7_HUMAN Galectin-7 (Gene Name=LGALS7)