Structure of PDB 5glu Chain B Binding Site BS01

Receptor Information
>5glu Chain B (length=278) Species: 59264 (Toxascaris leonina) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MATETNYPVPYRSKLTEPFEPGQTLIIKGKTAEDSVRFTINLHNTSADFS
GNDVPLHISVRFDEGKIVFNTFSKGEWGKEERKSNPYKKGDDIDIRIRAH
DSKFSISVDQKEVKEYEHRVPLSSVTHFSVDGDILITYIHWGGKYYPVPY
ESGLAGDGLAPGKSLLIFATPEKKGKRFHINLLKKNGDIALHFNPRFDEK
AIVRNSLISGEWGNEEREGKNPLEKGIGCDLEFRNEEYAFQIYVDGERFA
TYAHRLDPHDINGLQIGGDVEVTGIQMV
Ligand information
Ligand IDGAL
InChIInChI=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
InChIKeyWQZGKKKJIJFFOK-FPRJBGLDSA-N
SMILES
SoftwareSMILES
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@H]1O
OpenEye OEToolkits 1.7.2C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
OpenEye OEToolkits 1.7.2C([C@@H]1[C@@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
FormulaC6 H12 O6
Namebeta-D-galactopyranose;
beta-D-galactose;
D-galactose;
galactose
ChEMBLCHEMBL300520
DrugBank
ZINCZINC000002597049
PDB chain5glu Chain D Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5glu Structural Basis for Carbohydrate Recognition and Anti-inflammatory Modulation by Gastrointestinal Nematode Parasite Toxascaris leonina Galectin
Resolution2.1 Å
Binding residue
(original residue number in PDB)		H57 S59 R61
Binding residue
(residue number reindexed from 1)		H57 S59 R61
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016936 galactoside binding
GO:0030246 carbohydrate binding
Cellular Component
GO:0005886 plasma membrane
GO:0045121 membrane raft

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Molecular Function
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Cellular Component
External links
PDB RCSB:5glu, PDBe:5glu, PDBj:5glu
PDBsum5glu
PubMed27742836
UniProtA0A1L1QJZ7

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