Structure of PDB 4m3d Chain A

Receptor sequence
>4m3dA (length=192) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence]
DDRELAILATAENLLEDRPLADISVDDLAKGAGISRPTFYFYFPSKEAVL
LTLLDRVVNQADMALQTLAENPADTDRENMWRTGINVFFETFGSHKAVTR
AGQAARATSVEVAELWSTFMQKWIAYTAAVIDAERDRGAAPRTLPAHELA
TALNLMNERTLFASFAGEQPSVPEARVLDTLVHIWVTSIYGE
3D structure
PDB4m3d Ligand Efficiency Driven Design of New Inhibitors of Mycobacterium tuberculosis Transcriptional Repressor EthR Using Fragment Growing, Merging, and Linking Approaches.
ChainA
Resolution1.9 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 2H2 A M102 W103 G106 I107 F110 Y148 T149 V152 N176 N179 E180 W207 M80 W81 G84 I85 F88 Y126 T127 V130 N154 N157 E158 W185 MOAD: ic50=3.9uM
PDBbind-CN: -logKd/Ki=5.41,IC50=3.9uM
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:4m3d, PDBe:4m3d, PDBj:4m3d
PDBsum4m3d
PubMed24818704
UniProtP9WMC1|ETHR_MYCTU HTH-type transcriptional regulator EthR (Gene Name=ethR)

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