Structure of PDB 4pcr Chain D Binding Site BS01

Receptor Information
>4pcr Chain D (length=232) Species: 61861 (Canavalia brasiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSTNALHFMFNQFSKDQKDLILQGDATTGTEGNLR
LTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPDSH
PADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
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 chain4pcr Chain D Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4pcr Crystal structure of Canavalia brasiliensis seed lectin (ConBr) complexed with Gamma-Aminobutyric Acid (GABA)
Resolution2.15 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:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding
GO:0090729 toxin activity
Biological Process
GO:0035821 modulation of process of another organism

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Molecular Function
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Biological Process
External links
PDB RCSB:4pcr, PDBe:4pcr, PDBj:4pcr
PDBsum4pcr
PubMed
UniProtP55915|CONA_CANBR Concanavalin-Br

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