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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
ChainGOidnamespacecontents
A0000976molecular_functiontranscription cis-regulatory region binding
A0003677molecular_functionDNA binding
A0003700molecular_functionDNA-binding transcription factor activity
A0005515molecular_functionprotein binding
A0005829cellular_componentcytosol
A0006355biological_processregulation of DNA-templated transcription
A0045892biological_processnegative regulation of DNA-templated transcription
A0046677biological_processresponse to antibiotic
Functional Information from PDB Data
site_idAC1
Number of Residues16
DetailsBINDING SITE FOR RESIDUE 0MN A 301
ChainResidue
ALEU87
AVAL152
AASN176
AASN179
AGLU180
ALEU183
APHE184
ATRP207
AMET102
AGLY106
AILE107
APHE110
ATRP138
AMET142
ATYR148
ATHR149

site_idAC2
Number of Residues1
DetailsBINDING SITE FOR RESIDUE NH4 A 302
ChainResidue
AGLY115

site_idAC3
Number of Residues9
DetailsBINDING SITE FOR RESIDUE GOL A 303
ChainResidue
AASP154
AARG157
ATHR165
ALEU166
APRO167
APRO167
AALA168
AHOH431
AHOH447

site_idAC4
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 304
ChainResidue
ASER46
AVAL47
AASP48
AARG58

site_idAC5
Number of Residues4
DetailsBINDING SITE FOR RESIDUE GOL A 305
ChainResidue
ATYR62
APRO66
AASN93
ATHR97

Functional Information from SwissProt/UniProt
site_idSWS_FT_FI1
Number of Residues19
DetailsDNA_BIND: H-T-H motif => ECO:0000255|PROSITE-ProRule:PRU00335
ChainResidueDetails
ASER46-PHE65

site_idSWS_FT_FI2
Number of Residues2
DetailsSITE: Inhibitor-binding
ChainResidueDetails
AASN176
AASN179

221051

PDB entries from 2024-06-12

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