Structure of PDB 1ww4 Chain B Binding Site BS01

Receptor Information
>1ww4 Chain B (length=160) Species: 64608 (Agrocybe cylindracea) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTSAVNIYNISAGASVDLAAPVTTGDIVTFFSSALNLSAGAGSPNNTALN
LLSENGAYLLHIAFRLQENVIVFNSRQPNAPWLVEQRVSNVANQFIGSGG
KAMVTVFDHGDKYQVVINEKTVIQYTKQISGTTSSLSYNSTEGTSIFSTV
VEAVTYTGLA
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain1ww4 Chain F Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ww4 Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
Resolution2.3 Å
Binding residue
(original residue number in PDB)		R66 E86
Binding residue
(residue number reindexed from 1)		R65 E85
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:1ww4, PDBe:1ww4, PDBj:1ww4
PDBsum1ww4
PubMed16051274
UniProtQ6WY08|ATLE_CYCAE Anti-tumor lectin (Fragment)

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