Structure of PDB 3wud Chain A Binding Site BS02

Receptor Information

>3wud Chain A (length=132) Species: 8355 (Xenopus laevis)

AGMVMNNFSLKQGHCLELKGFIPKDAKSFAINLGKDSSNYVIHFNPRFDH
EGDTNKIICNSKEENSWGTEQRENVFPFQQGAETSICFEYQADHLKVKLS
DGQEFNFPIRMPLDTITFLSMDGIELKAISLH

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: 3wud Chain B Residue 2

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3wud Crystal structure of a Xenopus laevis skin proto-type galectin, close to but distinct from galectin-1.
• Resolution: 1.68 Å
• Binding residue (original residue number in PDB): H45 R49 E53 W69 E72
• Binding residue (residue number reindexed from 1): H43 R47 E51 W67 E70
• 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:3wud, PDBe:3wud, PDBj:3wud
• PDBsum: 3wud
• PubMed: 25804418
• UniProt: Q98UD4