Structure of PDB 6fu4 Chain C Binding Site BS01

Receptor Information
>6fu4 Chain C (length=296) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
QMLDESARLRLEARGELQALRIQRYFMDAFQYGKGFSRQILFLRDQAQKR
FLDAYDLREDLTRQVRTALAANPEVLGLYVVFEPNALDGKDELFVDQPAL
GSNDKGRFSLYWAQATPGQLESESMIESELADTSSGPSGAAYNAWYTCPK
ESGQPCVLDPYFDKVGERQLLMTSIAFPLELDGKVIGVMGLDINLSNLQA
LSEQGNRELYDGVGQVGILSPAGLFAGNSRDAGLLGKNLAKADPQHAGEL
LQLLAAGKSRLFNENDDLKVLQPLQPIPGAKPWGVLLEVPKSALLG
Ligand information
Ligand IDHSM
InChIInChI=1S/C5H9N3/c6-2-1-5-3-7-4-8-5/h3-4H,1-2,6H2,(H,7,8)
InChIKeyNTYJJOPFIAHURM-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1c(nc[nH]1)CCN
CACTVS 3.341NCCc1c[nH]cn1
ACDLabs 10.04n1c(cnc1)CCN
FormulaC5 H9 N3
NameHISTAMINE
ChEMBLCHEMBL90
DrugBankDB05381
ZINCZINC000000388081
PDB chain6fu4 Chain C Residue 401 [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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PDB6fu4 High-Affinity Chemotaxis to Histamine Mediated by the TlpQ Chemoreceptor of the Human Pathogen Pseudomonas aeruginosa.
Resolution2.45 Å
Binding residue
(original residue number in PDB)		Y126 Y158 E170 M172 E176 Y189 W192 Y208 D210 D239
Binding residue
(residue number reindexed from 1)		Y79 Y111 E123 M125 E129 Y142 W145 Y161 D163 D192
Annotation score4
Binding affinityMOAD: Kd=639nM
Enzymatic activity
Enzyme Commision number ?
External links
PDB RCSB:6fu4, PDBe:6fu4, PDBj:6fu4
PDBsum6fu4
PubMed30425146
UniProtQ9I0I4|TLPQ_PSEAE Methyl-accepting chemotaxis protein TlpQ (Gene Name=tlpQ)

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