Structure of PDB 5glt Chain B Binding Site BS01

Receptor Information

>5glt Chain B (length=278) Species: 59264 (Toxascaris leonina)

MATETNYPVPYRSKLTEPFEPGQTLIIKGKTAEDSVRFTINLHNTSADFS
GNDVPLHISVRFDEGKIVFNTFSKGEWGKEERKSNPYKKGDDIDIRIRAH
DSKFSISVDQKEVKEYEHRVPLSSVTHFSVDGDILITYIHWGGKYYPVPY
ESGLAGDGLAPGKSLLIFATPEKKGKRFHINLLKKNGDIALHFNPRFDEK
AIVRNSLISGEWGNEEREGKNPLEKGIGCDLEFRNEEYAFQIYVDGERFA
TYAHRLDPHDINGLQIGGDVEVTGIQMV

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: 5glt Chain D Residue 4

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5glt Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): H192 R196 V203 W212 E215
• Binding residue (residue number reindexed from 1): H192 R196 V203 W212 E215
• Annotation score: 4

Gene Ontology

Molecular Function

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

Cellular Component

• GO:0005886 plasma membrane
• GO:0045121 membrane raft

External links

• PDB: RCSB:5glt, PDBe:5glt, PDBj:5glt
• PDBsum: 5glt
• PubMed: 27742836
• UniProt: A0A1L1QJZ7