Structure of PDB 1is3 Chain A Binding Site BS01

Receptor Information

>1is3 Chain A (length=134) Species: 7943 (Conger myriaster)

DRAEVRNIPFKLGMYLTVGGVVNSNATRFSINVGESTDSIAMHMDHRFSY
GADQNVLVLNSLVHNVGWQQEERSKKFPFTKGDHFQTTITFDTHTFYIQL
SNGETVEFPNRNKDAAFNLIYLAGDARLTFVRLE

Ligand information

• Ligand ID: BGC
• 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-VFUOTHLCSA-N
• SMILES:
  OpenEye OEToolkits 1.7.6: C(C1C(C(C(C(O1)O)O)O)O)O
  CACTVS 3.370: OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
  CACTVS 3.370: OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
  OpenEye OEToolkits 1.7.6: C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
  ACDLabs 12.01: OC1C(O)C(OC(O)C1O)CO
• Formula: C6 H12 O6
• Name: beta-D-glucopyranose;
  beta-D-glucose;
  D-glucose;
  glucose
• ChEMBL: CHEMBL1614854
• DrugBank: DB02379
• ZINC: ZINC000003833800
• PDB chain: 1is3 Chain B Residue 1

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1is3 Crystal structure of a conger eel galectin (congerin II) at 1.45 A resolution: Implication for the accelerated evolution of a new ligand-binding site following gene duplication
• Resolution: 1.45 Å
• Binding residue (original residue number in PDB): R48 E72 R74
• Binding residue (residue number reindexed from 1): R47 E71 R73
• Annotation score: 4

Gene Ontology

Molecular Function

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

Cellular Component

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

External links

• PDB: RCSB:1is3, PDBe:1is3, PDBj:1is3
• PDBsum: 1is3
• PubMed: 12206768
• UniProt: Q9YIC2|LEG2_CONMY Congerin-2