4M3E

Rapid and efficient design of new inhibitors of Mycobacterium tuberculosis transcriptional repressor EthR using fragment growing, merging and linking approaches

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	15
Details	BINDING SITE FOR RESIDUE 2B3 A 301

Chain	Residue
A	LEU90
A	THR149
A	ASN176
A	ASN179
A	GLU180
A	LEU183
A	TRP207
A	MET102
A	TRP103
A	ILE107
A	PHE110
A	PHE114
A	TRP138
A	MET142
A	TYR148

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Functional Information from SwissProt/UniProt

site_id	SWS_FT_FI1
Number of Residues	19
Details	DNA_BIND: H-T-H motif => ECO:0000255|PROSITE-ProRule:PRU00335

Chain	Residue	Details
A	SER46-PHE65

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site_id	SWS_FT_FI2
Number of Residues	2
Details	SITE: Inhibitor-binding

Chain	Residue	Details
A	ASN176
A	ASN179

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