Structure of PDB 4m3c Chain A Binding Site BS03

Receptor Information
>4m3c Chain A (length=249) Species: 56060 (Butea monosperma) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TNTDSFTFSKFKPNQPNLKKQGDATVTSSGTLQLTKVDKNGVPDPKSLGR
ALYASPINIWDSKTGVVASFATSFRFTIYAPNIATIADGLAFFLAPVSSP
PKAGAGFLGLFDSAVFNSSYQTVAVEFDTYENTVFLDPPDTHIGIDVNSI
KSIKTVKWDLANGEAAKVLITYDSSAKLLVAALVYPSSKTSFILSDVVDL
KSVLPEWVSIGFSAATGASSGYIETHDVFSWSFASKLSFLDLASFLVAN
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 chain4m3c 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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PDB4m3c Structure of a binary complex between homologous tetrameric legume lectins from Butea monosperma and Spatholobus parviflorus seeds
Resolution2.5 Å
Binding residue
(original residue number in PDB)		N2 T3 D4 I57 N58 S235
Binding residue
(residue number reindexed from 1)		N2 T3 D4 I57 N58 S235
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
PDB RCSB:4m3c, PDBe:4m3c, PDBj:4m3c
PDBsum4m3c
PubMed
UniProtH2L2M6

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