PDB entry 4dw6

View 4dw6 on RCSB PDB site
Description: Novel N-phenyl-phenoxyacetamide derivatives as potential EthR inhibitors and ethionamide boosters. Discovery and optimization using High-Throughput Synthesis.
Class: transcription/inhibitor
Keywords: TETR-FAMILY, TRANSCRITPTIONAL REGULATORY REPRESSOR, INHIBITOR, DNA BINDING PROTEIN, TRANSCRIPTION REPRESSOR-INHIBITOR COMPLEX, TRANSCRIPTION-INHIBITOR complex
Deposited on 2012-02-24, released 2013-03-27
The last revision prior to the SCOPe 2.04 freeze date was dated 2013-08-07, with a file datestamp of 2013-08-02.
Experiment type: XRAY
Resolution: 2 Å
R-factor: 0.186
AEROSPACI score: 0.46 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: HTH-type transcriptional regulator EthR
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: etaR, ethR, MT3970, Rv3855
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d4dw6a1, d4dw6a2
  • Heterogens: 0MN, NH4, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4dw6A (A:)
    mgsshhhhhhssglvprgshmttsaasqaslprgrrtarpsgddrelailataenlledr
    pladisvddlakgagisrptfyfyfpskeavlltlldrvvnqadmalqtlaenpadtdre
    nmwrtginvffetfgshkavtragqaaratsvevaelwstfmqkwiaytaavidaerdrg
    aaprtlpahelatalnlmnertlfasfageqpsvpearvldtlvhiwvtsiygenr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4dw6A (A:)
    drelailataenlledrpladisvddlakgagisrptfyfyfpskeavlltlldrvvnqa
    dmalqtlaentdrenmwrtginvffetfgshkavtragqaaratsvevaelwstfmqkwi
    aytaavidaerdrgaaprtlpahelatalnlmnertlfasfageqpsvpearvldtlvhi
    wvtsiyge