Structure of PDB 6fu4 Chain D Binding Site BS01

Receptor Information
>6fu4 Chain D (length=290) Species: 208964 (Pseudomonas aeruginosa PAO1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ESARLRLEARGELQALRIQRYFMDAFQYGKGFSRQILFLRDQAQKRFLDA
YDLREDLTRQVRTALAANPEVLGLYVVFEPNALDGKDELFVDQPALGSND
KGRFSLYWAQATPGQLESESMIESELADTSSGPSGAAYNAWYTCPKESGQ
PCVLDPYFDKVGERQLLMTSIAFPLELDGKVIGVMGLDINLSNLQALSEQ
GNRELYDGVGQVGILSPAGLFAGNSRDAGLLGKNLAKADPQHAGELLQLL
AAGKSRLFNENDDLKVLQPLQPIPGAKPWGVLLEVPKSAL
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 D 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 M172 E176 Y189 W192 Y208 D210 D239
Binding residue
(residue number reindexed from 1)		Y75 Y107 M121 E125 Y138 W141 Y157 D159 D188
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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