Structure of PDB 3sh3 Chain A Binding Site BS02

Receptor Information
>3sh3 Chain A (length=232) Species: 763456 (Macropsychanthus wilsonii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDSYPNTDIGDPNYPHIGIDIKSIRSKSTARWNMQTGKVGTV
HISYNSVAKRLSAVVSYSGSSSTTVSYDVDLNNVLPEWVRVGLSATTGLY
KETNTILSWSFTSKLKTENSLHFSFHKFSQNPKDLILQGDAFTDSDGNLE
LTKVSNSGDPQGNSVGRALFYAPVHIWEKSAVVASFDATFTFLIKSPDRE
PADGITFFIANTDTSIPSGSGGRLLGLFPDAN
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 chain3sh3 Chain A Residue 239 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3sh3 Crystal structure of a pro-inflammatory lectin from the seeds of Dioclea wilsonii Standl.
Resolution2.3 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:0005536 D-glucose binding
GO:0005537 D-mannose binding
GO:0030145 manganese ion binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
Cellular Component
GO:0005773 vacuole
GO:0033095 aleurone grain

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Molecular Function
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Cellular Component
External links
PDB RCSB:3sh3, PDBe:3sh3, PDBj:3sh3
PDBsum3sh3
PubMed21924319
UniProtP86624|LECA_MACWI Lectin alpha chain

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