Structure of PDB 5ews Chain I Binding Site BS02

Receptor Information

>5ews Chain I (length=131) Species: 9606 (Homo sapiens)

MTGELEVKNMDMKPGSTLKITGSIADGTDGFVINLGQGTDKLNLHFNPRF
SESTIVCNSLDGSNWGQEQREDHLCFSPGSEVKFTVTFESDKFKVKLPDG
HELTFPNRLGHSHLSYLSVRGGFNMSSFKLK

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: 5ews Chain U Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5ews Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H48 R52 N61 E71
• Binding residue (residue number reindexed from 1): H45 R49 N58 E68
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0005515 protein binding
• GO:0016936 galactoside binding
• GO:0030246 carbohydrate binding

Biological Process

• GO:0043029 T cell homeostasis
• GO:0043065 positive regulation of apoptotic process
• GO:0050729 positive regulation of inflammatory response
• GO:0098609 cell-cell adhesion

Cellular Component

• GO:1990724 galectin complex

External links

• PDB: RCSB:5ews, PDBe:5ews, PDBj:5ews
• PDBsum: 5ews
• PubMed: 27563008
• UniProt: P05162|LEG2_HUMAN Galectin-2 (Gene Name=LGALS2)