Structure of PDB 3ax4 Chain A Binding Site BS02

Receptor Information
>3ax4 Chain A (length=232) Species: 192415 (Macropsychanthus violaceus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDSYPNTDIGDPNYPHIGIDIKSIRSKSTARWNMQTGKVGTV
HISYNSVAKRLSAVVSYSGSSSTTVSYDVDLNNVLPEWVRVGLSATTGLY
KETNTILSWSFTSKLKTENSLHFSFHKFSQNPKDLILQGDAFTDSDGNLE
LTKVSSSGDPQGNSVGRALFYAPVHIWEKSAVVASFDATFTFLIKSPDRE
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 chain3ax4 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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PDB3ax4 Crystal structure of Dioclea violacea lectin and a comparative study of vasorelaxant properties with Dioclea rostrata lectin
Resolution2.613 Å
Binding residue
(original residue number in PDB)		D10 Y12 N14 D19 R228
Binding residue
(residue number reindexed from 1)		D10 Y12 N14 D19 R223
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:3ax4, PDBe:3ax4, PDBj:3ax4
PDBsum3ax4
PubMed23353644
UniProtI1SB09

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