Structure of PDB 5t7p Chain B Binding Site BS02

Receptor Information
>5t7p Chain B (length=227) Species: 3888 (Pisum sativum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TETTSFLITKFSPDQQNLIFQGDGYTTKEKLTLTKAVKNTVGRALYSSPI
HIWDRETGNVANFVTSFTFVINAPNSYNVADGFTFFIAPVDTKPQTGGGY
LGVFNSAEYDKTTQTVAVEFDTFYNAAWDPSNRDRHIGIDVNSIKSVNTK
SWKLQNGEEANVVIAFNAATNVLTVSLTYPNTSYTLSDVVSLKDVVPEWV
RIGFSATTGAEYAAHEVLSWSFHSELS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain5t7p Chain B Residue 302 [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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PDB5t7p Crystal structure of Pisum arvense seed lectin (PAL) and characterization of its interaction with carbohydrates by molecular docking and dynamics.
Resolution2.16 Å
Binding residue
(original residue number in PDB)		D121 F123 N125 D129
Binding residue
(residue number reindexed from 1)		D121 F123 N125 D129
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:5t7p, PDBe:5t7p, PDBj:5t7p
PDBsum5t7p
PubMed28754321
UniProtP02867|LEC_PEA Lectin (Gene Name=LECA)

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