Structure of PDB 3lse Chain A Binding Site BS02

Receptor Information

>3lse Chain A (length=143) Species: 9606 (Homo sapiens)

SQAPYLSPAVPFSGTIQGGLQDGLQITVNGTVLSSSGTRFAVNFQTGFSG
NDIAFHFNPRFEDGGYVVCNTRQNGSWGPEERKTHMPFQKGMPFDLCFLV
QSSDFKVMVNGILFVQYFHRVPFHRVDTISVNGSVQLSYISFQ

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: 3lse Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3lse N-domain of human adhesion/growth-regulatory galectin-9: preference for distinct conformers and non-sialylated N-glycans and detection of ligand-induced structural changes in crystal and solution.
• Resolution: 2.69 Å
• Binding residue (original residue number in PDB): H61 R65 N75 W82 E85
• Binding residue (residue number reindexed from 1): H56 R60 N70 W77 E80
• Annotation score: 4

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding

External links

• PDB: RCSB:3lse, PDBe:3lse, PDBj:3lse
• PDBsum: 3lse
• PubMed: 20227520
• UniProt: O00182|LEG9_HUMAN Galectin-9 (Gene Name=LGALS9)