Structure of PDB 4euo Chain A Binding Site BS01

Receptor Information
>4euo Chain A (length=313) Species: 176299 (Agrobacterium fabrum str. C58) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DLVFSSWGGTTQDAQKAAWAEKFMVETGINVLQDGPTDYGKLKAMVEANG
VTWDVVDVEGDYAAQAGPKGLLEKLDFSVIDKTKLDPRFVTDYSVGSFYY
SFVIGCNVDSVSACPKSWADLFDTAKFPGKRTFYKWSAPGVIEAALLADG
VTADKLYPLDLDRAFKKLDTIKSDIIWWSGGAQSQQLIASAEAPFGSVWN
GRMTALEQSGVKVETSWAQNITAADSLVVPKGTKNKDAAMKFIALATSAQ
AQADMATATGYAPVNIESAKLMDPKIAKSLPDQQTESQVNADMNYWAQHR
DEIGERWYAWQAK
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 chain4euo Chain A Residue 404 [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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PDB4euo Structural basis for selective GABA binding in bacterial pathogens.
Resolution1.28 Å
Binding residue
(original residue number in PDB)		T34 F121 W222 R225 D248 Y284
Binding residue
(residue number reindexed from 1)		T11 F98 W199 R202 D225 Y261
Annotation score4
Binding affinityPDBbind-CN: -logKd/Ki=5.05,Kd=9uM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Cellular Component
GO:0042597 periplasmic space

View graph for
Cellular Component
External links
PDB RCSB:4euo, PDBe:4euo, PDBj:4euo
PDBsum4euo
PubMed23043322
UniProtA9CGA5

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