4DW6

Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.

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	0006351	biological_process	DNA-templated transcription
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	16
Details	BINDING SITE FOR RESIDUE 0MN A 301

Chain	Residue
A	LEU87
A	VAL152
A	ASN176
A	ASN179
A	GLU180
A	LEU183
A	PHE184
A	TRP207
A	MET102
A	GLY106
A	ILE107
A	PHE110
A	TRP138
A	MET142
A	TYR148
A	THR149

---

site_id	AC2
Number of Residues	1
Details	BINDING SITE FOR RESIDUE NH4 A 302

Chain	Residue
A	GLY115

---

site_id	AC3
Number of Residues	9
Details	BINDING SITE FOR RESIDUE GOL A 303

Chain	Residue
A	ASP154
A	ARG157
A	THR165
A	LEU166
A	PRO167
A	PRO167
A	ALA168
A	HOH431
A	HOH447

---

site_id	AC4
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 304

Chain	Residue
A	SER46
A	VAL47
A	ASP48
A	ARG58

---

site_id	AC5
Number of Residues	4
Details	BINDING SITE FOR RESIDUE GOL A 305

Chain	Residue
A	TYR62
A	PRO66
A	ASN93
A	THR97

---

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

---

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

Chain

Residue

Details

---