Structure of PDB 3pjq Chain A Binding Site BS01

Receptor Information
>3pjq Chain A (length=626) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ASLAPGSSRVELFKRQSSKVPFEKDGKVTERVVHSFRLPALVNVDGVMVA
IADARYETSFDNSLIDTVAKYSVDDGETWETQIAIKNSRASSVSRVVDPT
VIVKGNKLYVLVGSYNSSRSYWTSHGDARDWDILLAVGEVTKSTAGGKIT
ASIKWGSPVSLKEFFPAEMEGMHTNQFLGGAGVAIVASNGNLVYPVQVTN
KKKQVFSKIFYSEDEGKTWKFGKGRSAFGCSEPVALEWEGKLIINTRVDY
RRRLVYESSDMGNTWLEAVGTLSRVWGPSPKSNQPGSQSSFTAVTIEGMR
VMLFTHPLNFKGRWLRDRLNLWLTDNQRIYNVGQVSIGDENSAHSSVLYK
DDKLYCLHEINSNEVYSLVFARLVGELRIIKSVLQSWKNWDSHLSSICTP
AGCGPAVTTVGLVGFLSHSATKTEWEDAYRCVNASTANAERVPNGLKFAG
VGGGALWPVSQQGQNQRYHFANHAFTLVASVTIHEVPKGASPLLGASLDS
SGGKKLLGLSYDKRHQWQPIYGSTPVTPTGSWEMGKRYHVVLTMANKIGS
VYIDGEPLEGSGQTVVPDERTPDISHFYVGGYKRSGMPTDSRVTVNNVLL
YNRQLNAEEIRTLFLSQDLIGTEAHM
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 chain3pjq Chain B Residue 1 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3pjq Crystal structure of an enzymatically inactive trans-sialidase-like lectin from Trypanosoma cruzi: the carbohydrate binding mechanism involves residual sialidase activity.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		Y119 R311 W312
Binding residue
(residue number reindexed from 1)		Y121 R313 W314
Annotation score4
Enzymatic activity
Enzyme Commision number 3.2.1.18: exo-alpha-sialidase.
Gene Ontology
Molecular Function
GO:0004308 exo-alpha-sialidase activity
Biological Process
GO:0006689 ganglioside catabolic process
GO:0009313 oligosaccharide catabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0016020 membrane
GO:0043231 intracellular membrane-bounded organelle

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3pjq, PDBe:3pjq, PDBj:3pjq
PDBsum3pjq
PubMed21570497
UniProtQ26966

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