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Receptor Information

>1cjp Chain D (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

MUG

InChI

InChI=1S/C16H18O8/c1-7-4-12(18)23-10-5-8(2-3-9(7)10)22-16-15(21)14(20)13(19)11(6-17)24-16/h2-5,11,13-17,19-21H,6H2,1H3/t11-,13-,14+,15-,16+/m1/s1

InChIKey

YUDPTGPSBJVHCN-JZYAIQKZSA-N

SMILES

Software	SMILES
CACTVS 3.341	CC1=CC(=O)Oc2cc(O[CH]3O[CH](CO)[CH](O)[CH](O)[CH]3O)ccc12
ACDLabs 10.04	O=C2Oc3cc(OC1OC(C(O)C(O)C1O)CO)ccc3C(=C2)C
CACTVS 3.341	CC1=CC(=O)Oc2cc(O[C@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)ccc12
OpenEye OEToolkits 1.5.0	CC1=CC(=O)Oc2c1ccc(c2)OC3C(C(C(C(O3)CO)O)O)O
OpenEye OEToolkits 1.5.0	CC1=CC(=O)Oc2c1ccc(c2)O[C@@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O

Formula

C16 H18 O8

Name

4-METHYLUMBELLIFERYL-ALPHA-D-GLUCOSE

PDB chain

1cjp Chain D Residue 240 [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	1cjp The crystal structure of the complex of concanavalin A with 4'-methylumbelliferyl-alpha-D-glucopyranoside.
Resolution	2.78 Å
Binding residue (original residue number in PDB)	Y12 G98 L99 A207 D208 R228
Binding residue (residue number reindexed from 1)	Y12 G98 L99 A207 D208 R228
Annotation score	1

Enzyme Commision number

	Molecular Function
GO:0030246	carbohydrate binding

PDB	RCSB:1cjp, PDBe:1cjp, PDBj:1cjp
PDBsum	1cjp
PubMed	9087912
UniProt	P02866\|CONA_CANEN Concanavalin-A

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Structure of PDB 1cjp Chain D Binding Site BS01