Structure of PDB 2bqp Chain B Binding Site BS01

Receptor Information
>2bqp Chain B (length=228) Species: 3888 (Pisum sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TETTSFLITKFSPDQQNLIFQGDGYTTKEKLTLTKAVKNTVGRALYSSPI
HIWDRETGNVANFVTSFTFVINAPNSYNVADGFTFFIAPVDTKPQTGGGY
LGVFNSAEYDKTTQTVAVEFDTFYNAAWDPSNRDRHIGIDVNSIKSVNTK
SWKLQNGEEANVVIAFNAATNVLTVSLTYPNVTSYTLSDVVSLKDVVPEW
VRIGFSATTGAEYAAHEVLSWSFHSELS
Ligand information
Ligand IDGLC
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-DVKNGEFBSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C1C(C(C(C(O1)O)O)O)O)O
OpenEye OEToolkits 1.5.0C([C@@H]1[C@H]([C@@H]([C@H]([C@H](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
ACDLabs 10.04OC1C(O)C(OC(O)C1O)CO
FormulaC6 H12 O6
Namealpha-D-glucopyranose;
alpha-D-glucose;
D-glucose;
glucose
ChEMBLCHEMBL423707
DrugBank
ZINCZINC000003861213
PDB chain2bqp Chain B Residue 338 [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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PDB2bqp The Structure of the Pea Lectin-D-Mannopyranose Complex at a 2.1 A Resolution
Resolution1.9 Å
Binding residue
(original residue number in PDB)		A80 D81 G99 F123 G216 A217 E218
Binding residue
(residue number reindexed from 1)		A80 D81 G99 F123 G210 A211 E212
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2bqp, PDBe:2bqp, PDBj:2bqp
PDBsum2bqp
PubMed
UniProtP02867|LEC_PEA Lectin (Gene Name=LECA)

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