Structure of PDB 1loa Chain B Binding Site BS01
Receptor Information
>1loa Chain B (length=47) Species:
3858
(Lathyrus ochrus) [
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ETSYTLNEVVPLKEFVPEWVRIGFSATTGAEFAAHEVLSWYFHSELA
Ligand information
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
ChEMBL
CHEMBL131853
DrugBank
ZINC
ZINC000003861272
PDB chain
1loa Chain A Residue 182 [
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Receptor-Ligand Complex Structure
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PDB
1loa
Three-dimensional structures of complexes of Lathyrus ochrus isolectin I with glucose and mannose: fine specificity of the monosaccharide-binding site.
Resolution
2.2 Å
Binding residue
(original residue number in PDB)
G29 A30 E31
Binding residue
(residue number reindexed from 1)
G29 A30 E31
Annotation score
1
Enzymatic activity
Enzyme Commision number
?
Gene Ontology
Molecular Function
GO:0005537
D-mannose binding
GO:0030246
carbohydrate binding
View graph for
Molecular Function
External links
PDB
RCSB:1loa
,
PDBe:1loa
,
PDBj:1loa
PDBsum
1loa
PubMed
2091026
UniProt
P12306
|LEC1_LATOC Mannose/glucose-specific lectin alpha 1 chain
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