Structure of PDB 5f5q Chain B Binding Site BS01

Receptor Information
>5f5q Chain B (length=236) Species: 28958 (Canavalia cathartica) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTAH
IIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLYK
ETNTILSWSFTSKLKSNSTHETNALHFVFNQFSKDQKDLILQGDATTGTD
GNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKS
PDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5f5q Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5f5q Structural characterization of a lectin from Canavalia virosa seeds with inflammatory and cytotoxic activities.
Resolution2.52 Å
Binding residue
(original residue number in PDB)		D10 Y12 N14 D19
Binding residue
(residue number reindexed from 1)		D9 Y11 N13 D18
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005536 D-glucose binding
GO:0005537 D-mannose binding
GO:0030145 manganese ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Biological Process
GO:0042311 vasodilation

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:5f5q, PDBe:5f5q, PDBj:5f5q
PDBsum5f5q
PubMed27737777
UniProtC0HJY1|CONV_CANCT Concanavalin V

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