Structure of PDB 4i30 Chain A Binding Site BS03

Receptor Information
>4i30 Chain A (length=232) Species: 28957 (Canavalia lineata) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ADTIVAVELDTYPNTDIGDPSYPHIGIDIKSVRSKKTAKWNMQNGKVGTA
HIIYNSVGKRLSAVVSYPNGDSATVSYDVDLDNVLPEWVRVGLSASTGLY
KETNTILSWSFTSKLKSTNALHFVFNQFSKDQKDLILQGDATTGTDGNLE
LTRVSSNGSPQGSSVGRALFYAPVHIWESSAVVASFDATFTFLIKSSDSH
PADGIAFFISNIDSSIPSGSTGRLLGLFPDAN
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 chain4i30 Chain A Residue 303 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4i30 Crystal structure of Canavalia maritima seeds lectin (ConM) co-crystalized with gamma-aminobutyric acid (GABA) and soaked with adenine
Resolution1.89 Å
Binding residue
(original residue number in PDB)		S113 K114 L115 A125 V179 H180
Binding residue
(residue number reindexed from 1)		S113 K114 L115 A120 V174 H175
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
GO:0005537 D-mannose binding
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:4i30, PDBe:4i30, PDBj:4i30
PDBsum4i30
PubMed
UniProtP81460|CONA_CANLI Concanavalin-A

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