Structure of PDB 1a78 Chain A Binding Site BS01

Receptor Information

>1a78 Chain A (length=134) Species: 38577 (Rhinella arenarum)

ASAGVAVTNLNLKPGHCVEIKGSIPPDCKGFAVNLGEDASNFLLHFNARF
DLHGDVNKIVCNSKEADAWGSEQREEVFPFQQGAEVMVCFEYQTQKIIIK
FSSGDQFSFPVRKVLPSIPFLSLEGLAFKSITTE

Ligand information

• Ligand ID: YIO
• InChI: InChI=1S/C6H12O5S/c7-1-2-3(8)4(9)5(10)6(12)11-2/h2-10,12H,1H2/t2-,3+,4+,5-,6+/m1/s1
• InChIKey: JUSMHIGDXPKSID-PHYPRBDBSA-N
• SMILES:
  OpenEye OEToolkits 1.6.1: C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)S)O)O)O)O
  OpenEye OEToolkits 1.6.1: C(C1C(C(C(C(O1)S)O)O)O)O
  CACTVS 3.352: OC[C@H]1O[C@@H](S)[C@H](O)[C@@H](O)[C@H]1O
  CACTVS 3.352: OC[CH]1O[CH](S)[CH](O)[CH](O)[CH]1O
• Formula: C6 H12 O5 S
• Name: 1-thio-beta-D-galactopyranose;
  (2R,3R,4S,5R,6S)-2-(HYDROXYMETHYL)-6-SULFANYL-OXANE-3,4,5-TRIOL;
  1-thio-beta-D-galactose;
  1-thio-D-galactose;
  1-thio-galactose
• ZINC: ZINC000003873643
• PDB chain: 1a78 Chain E Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1a78 Soluble beta-galactosyl-binding lectin (galectin) from toad ovary: crystallographic studies of two protein-sugar complexes
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H45 R49 N62 W69 E72
• Binding residue (residue number reindexed from 1): H45 R49 N62 W69 E72
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0030246 carbohydrate binding
• GO:0043236 laminin binding

Cellular Component

• GO:0005576 extracellular region
• GO:0005615 extracellular space
• GO:0062023 collagen-containing extracellular matrix

External links

• PDB: RCSB:1a78, PDBe:1a78, PDBj:1a78
• PDBsum: 1a78
• PubMed: 10861929
• UniProt: P56217|LEG1_RHIAE Galectin-1