Structure of PDB 3vv1 Chain B Binding Site BS02

Receptor Information

>3vv1 Chain B (length=140) Species: 6239 (Caenorhabditis elegans)

GISFRNEFFNPQTPVNIPVQGFSNGARLRLVLLPTSADSRFHINLRTPDD
IVLHFNARFDEGAVVNNSTSGGGWQSEDRHANPFQQNKIYTLEFVSNGGI
ISIFVNGAHFADFVERTPSHGVHLIEIEGGVHVHSAHVSH

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: 3vv1 Chain D Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3vv1 Structural basis of preferential binding of fucose-containing saccharide by the Caenorhabditis elegans galectin LEC-6
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): H60 R64 N73 W80 E83
• Binding residue (residue number reindexed from 1): H54 R58 N67 W74 E77
• Annotation score: 4

Gene Ontology

Molecular Function

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

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:3vv1, PDBe:3vv1, PDBj:3vv1
• PDBsum: 3vv1
• PubMed: 23481096
• UniProt: Q9N384