Structure of PDB 1loa Chain B Binding Site BS01

Receptor Information
>1loa Chain B (length=47) Species: 3858 (Lathyrus ochrus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ETSYTLNEVVPLKEFVPEWVRIGFSATTGAEFAAHEVLSWYFHSELA
Ligand information
Ligand IDGYP
InChIInChI=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
InChIKeyHOVAGTYPODGVJG-ZFYZTMLRSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04OC1C(O)C(O)C(OC1OC)CO
OpenEye OEToolkits 1.5.0CO[C@@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
CACTVS 3.341CO[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O
CACTVS 3.341CO[CH]1O[CH](CO)[CH](O)[CH](O)[CH]1O
OpenEye OEToolkits 1.5.0COC1C(C(C(C(O1)CO)O)O)O
FormulaC7 H14 O6
Namemethyl alpha-D-glucopyranoside;
METHYL-ALPHA-D-GLUCOPYRANOSIDE;
ALPHA-METHYL-D-GLUCOPYRANOSIDE;
methyl alpha-D-glucoside;
methyl D-glucoside;
methyl glucoside
ChEMBLCHEMBL131853
DrugBank
ZINCZINC000003861272
PDB chain1loa Chain A Residue 182 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1loa Three-dimensional structures of complexes of Lathyrus ochrus isolectin I with glucose and mannose: fine specificity of the monosaccharide-binding site.
Resolution2.2 Å
Binding residue
(original residue number in PDB)
G29 A30 E31
Binding residue
(residue number reindexed from 1)
G29 A30 E31
Annotation score1
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
PDBsum1loa
PubMed2091026
UniProtP12306|LEC1_LATOC Mannose/glucose-specific lectin alpha 1 chain

[Back to BioLiP]