3SDG

Ethionamide Boosters Part 2: Combining Bioisosteric Replacement and Structure-Based Drug Design to Solve Pharmacokinetic Issues in a Series of Potent 1,2,4-Oxadiazole EthR Inhibitors.

Functional Information from GO Data

Chain	GOid	namespace	contents
A	0000976	molecular_function	transcription cis-regulatory region binding
A	0003677	molecular_function	DNA binding
A	0003700	molecular_function	DNA-binding transcription factor activity
A	0005515	molecular_function	protein binding
A	0005829	cellular_component	cytosol
A	0006355	biological_process	regulation of DNA-templated transcription
A	0045892	biological_process	negative regulation of DNA-templated transcription
A	0046677	biological_process	response to antibiotic

Functional Information from PDB Data

site_id	AC1
Number of Residues	11
Details	BINDING SITE FOR RESIDUE 3SE A 217

Chain	Residue
A	MET102
A	LEU183
A	TRP207
A	GLY106
A	PHE110
A	TRP145
A	TYR148
A	THR149
A	ASN176
A	ASN179
A	GLU180

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	19
Details	DNA binding: {"description":"H-T-H motif","evidences":[{"source":"PROSITE-ProRule","id":"PRU00335","evidenceCode":"ECO:0000255"}]}

Chain

Residue

Details

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site_id	SWS_FT_FI2
Number of Residues	2
Details	Site: {"description":"Inhibitor-binding"}

Chain

Residue

Details

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