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Receptor Information

>5cna Chain B (length=237) Species: 3823 (Canavalia ensiformis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVDKRLSAVVSYPNADSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTHETNALHFMFNQFSKDQKDLILQGDATTGT
DGNLELTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIK
SPDSHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN

Ligand ID

MMA

InChI

InChI=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

InChIKey

HOVAGTYPODGVJG-VEIUFWFVSA-N

SMILES

Software	SMILES
CACTVS 3.341	CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1O
ACDLabs 10.04	OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0	CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0	COC1C(C(C(C(O1)CO)O)O)O

Formula

C7 H14 O6

Name

methyl alpha-D-mannopyranoside;
O1-METHYL-MANNOSE;
methyl alpha-D-mannoside;
methyl D-mannoside;
methyl mannoside

PDB chain

5cna Chain B Residue 238 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]

Receptor-Ligand Complex Structure

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Structure summary

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PDB	5cna Refined structure of concanavalin A complexed with methyl alpha-D-mannopyranoside at 2.0 A resolution and comparison with the saccharide-free structure.
Resolution	2.0 Å
Binding residue (original residue number in PDB)	Y12 G98 L99 Y100 A207 D208 G227 R228
Binding residue (residue number reindexed from 1)	Y12 G98 L99 Y100 A207 D208 G227 R228
Annotation score	4

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding

PDB	RCSB:5cna, PDBe:5cna, PDBj:5cna
PDBsum	5cna
PubMed	15299352
UniProt	P02866\|CONA_CANEN Concanavalin-A

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Structure of PDB 5cna Chain B Binding Site BS01