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Receptor Information

>3d4k Chain C (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

H1M

InChI

InChI=1S/C9H18O6/c1-14-9-5(2-3-10)7(12)8(13)6(4-11)15-9/h5-13H,2-4H2,1H3/t5-,6+,7+,8+,9-/m0/s1

InChIKey

FAFNJLOZTBABPO-CBHQDSPSSA-N

SMILES

Software	SMILES
ACDLabs 10.04	O(C)C1OC(C(O)C(O)C1CCO)CO
CACTVS 3.341	CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]1CCO
OpenEye OEToolkits 1.5.0	CO[C@@H]1[C@H]([C@H]([C@@H]([C@H](O1)CO)O)O)CCO
OpenEye OEToolkits 1.5.0	COC1C(C(C(C(O1)CO)O)O)CCO
CACTVS 3.341	CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1CCO

Formula

C9 H18 O6

Name

methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannopyranoside;
methyl 2-deoxy-2-(2-hydroxyethyl)-alpha-D-mannoside;
methyl 2-deoxy-2-(2-hydroxyethyl)-D-mannoside;
methyl 2-deoxy-2-(2-hydroxyethyl)-mannoside

PDB chain

3d4k 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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Structure summary

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PDB	3d4k Involvement of water in carbohydrate-protein binding: concanavalin A revisited.
Resolution	1.8 Å
Binding residue (original residue number in PDB)	Y12 D16 L99
Binding residue (residue number reindexed from 1)	Y12 D16 L99
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding

PDB	RCSB:3d4k, PDBe:3d4k, PDBj:3d4k
PDBsum	3d4k
PubMed	19053475
UniProt	P02866\|CONA_CANEN Concanavalin-A

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Structure of PDB 3d4k Chain C Binding Site BS01