Structure of PDB 7prq Chain B Binding Site BS01

Receptor Information
>7prq Chain B (length=316) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELVQQRTQGLLEKVINERLVALARAQVSQIQRELEYPLTVVHGLANSTRL
LGEPGADGMPQLNASRDEISALLRSTVQNNPKLLDTFMAWEPNAFDTDAA
FAGQPGKGYGPDGRYLPWWYRGADGKPIVEAMADSIDSEKLLPTGVRENE
FYACPKENKRPCIIDPAPYEMGGKTVMMSSFNVPIMVGDQFRGAVGADLS
LAFIQDLLKRADQQLYDGAGEMALIASNGRLVAYTRDDSKLGEPAGSVLD
GNEVDNLKNLTVDQPLYDIDAEHGHIELFLPFTIADSGVRWTLMLQIPQA
AVFGELQQLQGELSDQ
Ligand information
Ligand IDCHT
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCO
ACDLabs 10.04OCC[N+](C)(C)C
FormulaC5 H14 N O
NameCHOLINE ION
ChEMBLCHEMBL920
DrugBankDB00122
ZINCZINC000003079337
PDB chain7prq Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7prq Chemotaxis of the Human Pathogen Pseudomonas aeruginosa to the Neurotransmitter Acetylcholine.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		F103 W134 M148 F167 Y185 S196 D214
Binding residue
(residue number reindexed from 1)		F87 W118 M132 F151 Y169 S180 D198
Annotation score4
Enzymatic activity
Enzyme Commision number ?
External links