Structure of PDB 5tg3 Chain B Binding Site BS01

Receptor Information
>5tg3 Chain B (length=230) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDSYPNTDIGDPNYPHIGIDIKSVRSKSTARWNMQTGKVGTV
HISYNSVSKRLSAVVSYSGSSSTTVSYDVDLNNVLPEWVRVGLSATTGLY
KQTNTILSWSFTSKLKNSLHFSFHKFSQNPKDLILQGDASTDSDGNLQLT
KVSSSGDPQGNSVGRALFYAPVHIWEKSAVVASFDATFTFLIKSPDREPA
DGITFFIANTDTTIPSGSGGRLLGLFPDAN
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 chain5tg3 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tg3 Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics.
Resolution1.765 Å
Binding residue
(original residue number in PDB)
D10 Y12 N14 D19
Binding residue
(residue number reindexed from 1)
D10 Y12 N14 D19
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005509 calcium ion binding
GO:0005537 D-mannose binding
GO:0030145 manganese ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:5tg3, PDBe:5tg3, PDBj:5tg3
PDBsum5tg3
PubMed28130130
UniProtC0HK81|LECA_MACCS Lectin

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