Structure of PDB 1ww5 Chain C Binding Site BS01

Receptor Information
>1ww5 Chain C (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 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 chain1ww5 Chain G Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ww5 Structural Basis of a Fungal Galectin from Agrocybe cylindracea for Recognizing Sialoconjugate
Resolution2.2 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:1ww5, PDBe:1ww5, PDBj:1ww5
PDBsum1ww5
PubMed16051274
UniProtQ6WY08|ATLE_CYCAE Anti-tumor lectin (Fragment)

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