Structure of PDB 6m5y Chain A Binding Site BS02

Receptor Information
>6m5y Chain A (length=270) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGLVASNLNLKPGESLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNA
HGDANTIVSNSKDGGAWGTEQREAVFPFQPGSVAEVSITFDQANLTVKLP
DGYEFKFPNRLNLEAINYMAADGDFKIKSVAFDGSSASGLVASNLNLKPG
ESLRVRGEVAPDAKSFVLNLGKDSNNLCLHFNPRFNAHGDANTIVSNSKD
GGAWGTEQREAVFPFQPGSVAEVSITFDQANLTVKLPDGYEFKFPNRLNL
EAINYMAADGDFKIKSVAFD
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 chain6m5y Chain B Residue 2 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB6m5y Crystal structure and conformational stability of a galectin-1 tandem-repeat mutant with a short linker.
Resolution1.38 Å
Binding residue
(original residue number in PDB)		H45 R49 H53 N62 W69 E72
Binding residue
(residue number reindexed from 1)		H43 R47 H51 N60 W67 E70
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0005515 protein binding
GO:0030246 carbohydrate binding
GO:0030395 lactose binding
GO:0043236 laminin binding
GO:0048018 receptor ligand activity
Biological Process
GO:0002317 plasma cell differentiation
GO:0006915 apoptotic process
GO:0007165 signal transduction
GO:0031295 T cell costimulation
GO:0042981 regulation of apoptotic process
GO:0043065 positive regulation of apoptotic process
GO:0043123 positive regulation of canonical NF-kappaB signal transduction
GO:0045445 myoblast differentiation
GO:0046598 positive regulation of viral entry into host cell
GO:0050729 positive regulation of inflammatory response
GO:0098609 cell-cell adhesion
GO:2000329 negative regulation of T-helper 17 cell lineage commitment
GO:2001200 positive regulation of dendritic cell differentiation
Cellular Component
GO:0005576 extracellular region
GO:0005615 extracellular space
GO:0005737 cytoplasm
GO:0005788 endoplasmic reticulum lumen
GO:0005829 cytosol
GO:0005886 plasma membrane
GO:0062023 collagen-containing extracellular matrix
GO:0070062 extracellular exosome
GO:1990724 galectin complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6m5y, PDBe:6m5y, PDBj:6m5y
PDBsum6m5y
PubMed34735570
UniProtP09382|LEG1_HUMAN Galectin-1 (Gene Name=LGALS1)

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