Structure of PDB 5tg3 Chain A Binding Site BS02

Receptor Information
>5tg3 Chain A (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 IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain5tg3 Chain A Residue 302 [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)		E8 D10 D19 H24
Binding residue
(residue number reindexed from 1)		E8 D10 D19 H24
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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