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Structure of PDB 3usu Chain B Binding Site BS03

Receptor Information
>3usu Chain B (length=242) Species: 56060 (Butea monosperma) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TTNTDSFTFSKFKPNQPNLKKQGDATVTSSGTLQLTKVDKNGVPDPKSLG
RALYASPINIWDSKTGVVASFATSFRFTIYAPNIATIADGLAFFLAPVSS
PPKAGAGFLGLFDSAVFNSSYQTVAVEFDTYENTVFLDPPDTHIGIDVNS
IKSIKTVKWDLANGEAAKVLITYDSSAKLLVAALVYPSSKTSFILSDVVD
LKSVLPEWVSIGFSAATGASSGYIETHDVFSWSFASKLSFAA
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 chain3usu Chain B Residue 276 [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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PDB3usu Crystal structure of Butea monosperma seed lectin
Resolution2.46 Å
Binding residue
(original residue number in PDB)		D5 P57 I58 N59 S236
Binding residue
(residue number reindexed from 1)		D5 P57 I58 N59 S236
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0030246 carbohydrate binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links

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