Structure of PDB 5f1j Chain A

Receptor sequence
>5f1jA (length=194) Species: 83331 (Mycobacterium tuberculosis CDC1551) [Search protein sequence]
GDDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAV
LLTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVT
RAGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHEL
ATALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGEN
3D structure
PDB5f1j A fragment merging approach towards the development of small molecule inhibitors of Mycobacterium tuberculosis EthR for use as ethionamide boosters.
ChainA
Resolution1.631 Å
3D
structure
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Enzymatic activity
Enzyme Commision number ?
Interaction with ligand
Site
#		 Ligand Ligand
chain		 Binding residues on receptor
(original residue number in PDB)		 Binding residues on receptor
(residue number reindexed from 1)		 Binding affinity
BS01 5TO A F110 W145 N176 N179 W207 F89 W124 N155 N158 W186 MOAD: Kd=12uM
PDBbind-CN: -logKd/Ki=4.92,Kd=12uM
BindingDB: Kd=1.2e+4nM
BS02 5TO A F114 G124 R128 W138 E180 F184 F93 G103 R107 W117 E159 F163 MOAD: Kd=12uM
PDBbind-CN: -logKd/Ki=4.92,Kd=12uM
BindingDB: Kd=1.2e+4nM
Gene Ontology
Molecular Function
GO:0000976 transcription cis-regulatory region binding
GO:0003677 DNA binding
GO:0003700 DNA-binding transcription factor activity
GO:0005515 protein binding
Biological Process
GO:0006355 regulation of DNA-templated transcription
GO:0045892 negative regulation of DNA-templated transcription
GO:0046677 response to antibiotic
Cellular Component
GO:0005829 cytosol

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Cellular Component
External links
PDB RCSB:5f1j, PDBe:5f1j, PDBj:5f1j
PDBsum5f1j
PubMed26806381
UniProtP9WMC1|ETHR_MYCTU HTH-type transcriptional regulator EthR (Gene Name=ethR)

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