Structure of PDB 4pcr Chain A Binding Site BS04

Receptor Information
>4pcr Chain A (length=234) Species: 61861 (Canavalia brasiliensis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSNSTNALHFMFNQFSKDQKDLILQGDATTGTEGN
LRLTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFEATFTFLIKSPD
SHPADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
Ligand information
Ligand IDABU
InChIInChI=1S/C4H9NO2/c5-3-1-2-4(6)7/h1-3,5H2,(H,6,7)
InChIKeyBTCSSZJGUNDROE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.370NCCCC(O)=O
ACDLabs 12.01O=C(O)CCCN
OpenEye OEToolkits 1.7.0C(CC(=O)O)CN
FormulaC4 H9 N O2
NameGAMMA-AMINO-BUTANOIC ACID;
GAMMA(AMINO)-BUTYRIC ACID
ChEMBLCHEMBL96
DrugBankDB02530
ZINCZINC000001532620
PDB chain4pcr Chain A Residue 305 [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)		N124 E183
Binding residue
(residue number reindexed from 1)		N121 E180
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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