Structure of PDB 5f5q Chain B Binding Site BS03

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 IDMMA
InChIInChI=1S/C7H14O6/c1-12-7-6(11)5(10)4(9)3(2-8)13-7/h3-11H,2H2,1H3/t3-,4-,5+,6+,7+/m1/s1
InChIKeyHOVAGTYPODGVJG-VEIUFWFVSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside
ChEMBLCHEMBL195368
DrugBankDB01979
ZINCZINC000004261920
PDB chain5f5q Chain B Residue 303 [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)		Y12 N14 G98 L99 Y100 A207 D208 R228
Binding residue
(residue number reindexed from 1)		Y11 N13 G97 L98 Y99 A206 D207 R227
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
View graph for
Biological Process
External links
PDB RCSB:5f5q, PDBe:5f5q, PDBj:5f5q
PDBsum5f5q
PubMed27737777
UniProtC0HJY1|CONV_CANCT Concanavalin V

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