Structure of PDB 5tg3 Chain B Binding Site BS01
Receptor Information
>5tg3 Chain B (length=230) [
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ADTIVAVELDSYPNTDIGDPNYPHIGIDIKSVRSKSTARWNMQTGKVGTV
HISYNSVSKRLSAVVSYSGSSSTTVSYDVDLNNVLPEWVRVGLSATTGLY
KQTNTILSWSFTSKLKNSLHFSFHKFSQNPKDLILQGDASTDSDGNLQLT
KVSSSGDPQGNSVGRALFYAPVHIWEKSAVVASFDATFTFLIKSPDREPA
DGITFFIANTDTTIPSGSGGRLLGLFPDAN
Ligand information
Ligand ID
CA
InChI
InChI=1S/Ca/q+2
InChIKey
BHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
Software
SMILES
CACTVS 3.341
[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Ca+2]
Formula
Ca
Name
CALCIUM ION
ChEMBL
DrugBank
DB14577
ZINC
PDB chain
5tg3 Chain B Residue 301 [
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Receptor-Ligand Complex Structure
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PDB
5tg3
Structural studies of a vasorelaxant lectin from Dioclea reflexa Hook seeds: Crystal structure, molecular docking and dynamics.
Resolution
1.765 Å
Binding residue
(original residue number in PDB)
D10 Y12 N14 D19
Binding residue
(residue number reindexed from 1)
D10 Y12 N14 D19
Annotation score
4
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
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Molecular Function
External links
PDB
RCSB:5tg3
,
PDBe:5tg3
,
PDBj:5tg3
PDBsum
5tg3
PubMed
28130130
UniProt
C0HK81
|LECA_MACCS Lectin
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