Structure of PDB 5jef Chain B Binding Site BS01

Receptor Information
>5jef Chain B (length=222) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VKRPVSASLARAFFYIVLLSILSTGIALLTLASSLRDAEAINIAGSLRMQ
SYRLGYDLQSGSPQLNAHRQLFQQALHSPVLTNLNVWYVPEAVKTRYAHL
NANWLEMNNRLSKGDLPWYQANINNYVNQIDLFVLALQHYAERKMLLVVA
ISLAGGIGIFTLVFFTLRRIRHQVVAPLNQLVTASQRIEHGQFPPLDTNL
PNELGLLAKTFNQMSSELHKLY
Ligand information
Ligand IDNO3
InChIInChI=1S/NO3/c2-1(3)4/q-1
InChIKeyNHNBFGGVMKEFGY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
CACTVS 3.341		[O-][N+]([O-])=O
OpenEye OEToolkits 1.5.0[N+](=O)([O-])[O-]
FormulaN O3
NameNITRATE ION
ChEMBLCHEMBL186200
DrugBankDB14049
ZINC
PDB chain5jef Chain A Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5jef Mechanism of transmembrane signaling by sensor histidine kinases.
Resolution2.42 Å
Binding residue
(original residue number in PDB)		G47 S48 R50
Binding residue
(residue number reindexed from 1)		G45 S46 R48
Annotation score3
Enzymatic activity
Enzyme Commision number 2.7.13.3: histidine kinase.
Gene Ontology
Biological Process
GO:0007165 signal transduction
Cellular Component
GO:0016020 membrane

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Biological Process
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Cellular Component
External links
PDB RCSB:5jef, PDBe:5jef, PDBj:5jef
PDBsum5jef
PubMed28522691
UniProtP27896|NARQ_ECOLI Nitrate/nitrite sensor protein NarQ (Gene Name=narQ)

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