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Receptor Information

>1ws4 Chain C (length=133) Species: 3490 (Artocarpus integer) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]

GKAFDDGAFTGIREINLSYNKETAIGDFQVVYDLNGSPYVGQNHKSFITG
FTPVKISLDFPSEYIMEVSGYTGNVSGYVVVRSLTFKTNKKTYGPYGVTS
GTPFNLPIENGLIVGFKGSIGYWLDYFSMYLSL

Ligand ID

GYP

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-ZFYZTMLRSA-N

SMILES

Software	SMILES
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[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
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-glucopyranoside;
METHYL-ALPHA-D-GLUCOPYRANOSIDE;
ALPHA-METHYL-D-GLUCOPYRANOSIDE;
methyl alpha-D-glucoside;
methyl D-glucoside;
methyl glucoside

PDB chain

1ws4 Chain C Residue 502 [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	1ws4 Structural basis for the energetics of jacalin-sugar interactions: promiscuity versus specificity
Resolution	1.9 Å
Binding residue (original residue number in PDB)	G1 Y78 G121 Y122 W123 D125
Binding residue (residue number reindexed from 1)	G1 Y78 G121 Y122 W123 D125
Annotation score	1
Binding affinity	MOAD: Kd=1mM

Enzyme Commision number

	Molecular Function
GO:0019862	IgA binding
GO:0030246	carbohydrate binding

	Biological Process
GO:0008150	biological_process

	Cellular Component
GO:0005575	cellular_component

PDB	RCSB:1ws4, PDBe:1ws4, PDBj:1ws4
PDBsum	1ws4
PubMed	15733927
UniProt	P18670\|LECA_ARTIN Agglutinin alpha chain

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Structure of PDB 1ws4 Chain C Binding Site BS04