Structure of PDB 1rin Chain B Binding Site BS01

Receptor Information
>1rin Chain B (length=47) Species: 3888 (Pisum sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VTSYTLSDVVSLKDVVPEWVRIGFSATTGAEYAAHEVLSWSFHSELS
Ligand information
Ligand IDMAN
InChIInChI=1S/C6H12O6/c7-1-2-3(8)4(9)5(10)6(11)12-2/h2-11H,1H2/t2-,3-,4+,5+,6+/m1/s1
InChIKeyWQZGKKKJIJFFOK-PQMKYFCFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
CACTVS 3.341OC[CH]1O[CH](O)[CH](O)[CH](O)[CH]1O
CACTVS 3.341OC[C@H]1O[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@@H]([C@H](O1)O)O)O)O)O
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-mannopyranose;
alpha-D-mannose;
D-mannose;
mannose
ChEMBLCHEMBL365590
DrugBank
ZINCZINC000003860903
PDB chain1rin Chain A Residue 250 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB1rin X-ray crystal structure of a pea lectin-trimannoside complex at 2.6 A resolution.
Resolution2.6 Å
Binding residue
(original residue number in PDB)		G216 A217 E218
Binding residue
(residue number reindexed from 1)		G29 A30 E31
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=3.15,Kd=0.7mM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding

View graph for
Molecular Function
External links
PDB RCSB:1rin, PDBe:1rin, PDBj:1rin
PDBsum1rin
PubMed8486683
UniProtP02867|LEC_PEA Lectin (Gene Name=LECA)

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