Structure of PDB 7prr Chain A Binding Site BS01

Receptor Information
>7prr Chain A (length=304) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLLEKVINERLVALARAQVSQIQRELEYPLTVVHGLANSTRLLGEPGADG
MPQLNASRDEISALLRSTVQNNPKLLDTFMAWEPNAFDTDAAFAGQPGKG
YGPDGRYLPWWYRGADGKPIVEAMADSIDSEKLLPTGVRENEFYACPKEN
KRPCIIDPAPYEMGGKTVMMSSFNVPIMVGDQFRGAVGADLSLAFIQDLL
KRADQQLYDGAGEMALIASNGRLVAYTRDDSKLGEPAGSVLDGNEVDNLK
NLTVDQPLYDIDAEHGHIELFLPFTIADSGVRWTLMLQIPQAAVFGELQQ
LQGE
Ligand information
Ligand IDACH
InChIInChI=1S/C7H16NO2/c1-7(9)10-6-5-8(2,3)4/h5-6H2,1-4H3/q+1
InChIKeyOIPILFWXSMYKGL-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(OCC[N+](C)(C)C)C
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC(=O)OCC[N+](C)(C)C
FormulaC7 H16 N O2
NameACETYLCHOLINE
ChEMBLCHEMBL667
DrugBankDB03128
ZINCZINC000003079336
PDB chain7prr Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7prr Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		F103 W134 M148 D150 S151 F167 Y185 D214
Binding residue
(residue number reindexed from 1)		F79 W110 M124 D126 S127 F143 Y161 D190
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links