Structure of PDB 1a78 Chain A Binding Site BS02

Receptor Information

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

ASAGVAVTNLNLKPGHCVEIKGSIPPDCKGFAVNLGEDASNFLLHFNARF
DLHGDVNKIVCNSKEADAWGSEQREEVFPFQQGAEVMVCFEYQTQKIIIK
FSSGDQFSFPVRKVLPSIPFLSLEGLAFKSITTE

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: 1a78 Chain E Residue 2

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): R49 E72 R74
• Binding residue (residue number reindexed from 1): R49 E72 R74
• Annotation score: 4

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