Structure of PDB 3m3q Chain B Binding Site BS01

Receptor Information
>3m3q Chain B (length=159) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MQGVNIYNISAGTSVDLAAPVTTGDIVTFFSSALNLNAGAGNPNNTTLNL
FAENGAYLLHIAFRLQENVIIFNSRQPDGPWLVEQRVSDVANQFAGIDGK
AMVTVFDHGDKYQVVINEKTVIQYTKQISGLTSSLSYNATEETSIFSTVV
EAVTYTGLA
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 chain3m3q Chain D Residue 4 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3m3q Structural insights into the recognition mechanism between an antitumor galectin AAL and the Thomsen-Friedenreich antigen
Resolution2.2 Å
Binding residue
(original residue number in PDB)		N43 H59 R63 W80 E83
Binding residue
(residue number reindexed from 1)		N44 H60 R64 W81 E84
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.21.-
Gene Ontology
Molecular Function
GO:0004518 nuclease activity
GO:0004536 DNA nuclease activity
GO:0030246 carbohydrate binding
GO:0030247 polysaccharide binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006915 apoptotic process
GO:0043065 positive regulation of apoptotic process
Cellular Component
GO:0005575 cellular_component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3m3q, PDBe:3m3q, PDBj:3m3q
PDBsum3m3q
PubMed20530247
UniProtQ6WY08|ATLE_CYCAE Anti-tumor lectin (Fragment)

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