Structure of PDB 5ews Chain D Binding Site BS01

Receptor Information
>5ews Chain D (length=131) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MTGELEVKNMDMKPGSTLKITGSIADGTDGFVINLGQGTDKLNLHFNPRF
SESTIVCNSLDGSNWGQEQREDHLCFSPGSEVKFTVTFESDKFKVKLPDG
HELTFPNRLGHSHLSYLSVRGGFNMSSFKLK
Ligand information
Ligand IDBGC
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-VFUOTHLCSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.370OC[C@H]1O[C@@H](O)[C@H](O)[C@@H](O)[C@@H]1O
CACTVS 3.370OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.7.6C([C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)O)O)O)O)O
ACDLabs 12.01OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namebeta-D-glucopyranose;
beta-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL1614854
DrugBankDB02379
ZINCZINC000003833800
PDB chain5ews Chain R Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5ews Human galectin-2 interacts with carbohydrates and peptides non-classically: new insight from X-ray crystallography and hemagglutination.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		R52 E71 R73
Binding residue
(residue number reindexed from 1)		R49 E68 R70
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0016936 galactoside binding
GO:0030246 carbohydrate binding
Biological Process
GO:0043029 T cell homeostasis
GO:0043065 positive regulation of apoptotic process
GO:0050729 positive regulation of inflammatory response
GO:0098609 cell-cell adhesion
Cellular Component
GO:1990724 galectin complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5ews, PDBe:5ews, PDBj:5ews
PDBsum5ews
PubMed27563008
UniProtP05162|LEG2_HUMAN Galectin-2 (Gene Name=LGALS2)

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