PDB entry 3sfi

View 3sfi on RCSB PDB site
Description: 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.
Class: transcription repressor/inhibitor
Keywords: TETR-FAMILY, TRANSCRITPTIONAL REGULATORY REPRESSOR, INHIBITOR, DNA, DNA BINDING PROTEIN, TRANSCRIPTION REPRESSOR-INHIBITOR complex
Deposited on 2011-06-13, released 2011-12-07
The last revision prior to the SCOPe 2.04 freeze date was dated 2014-04-09, with a file datestamp of 2014-04-04.
Experiment type: XRAY
Resolution: 2.31 Å
R-factor: 0.22
AEROSPACI score: 0.27 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Transcriptional regulatory repressor protein (TETR-family)
    Species: Mycobacterium tuberculosis [TaxId:1773]
    Gene: ethR, MT3970, Rv3855
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.04: d3sfia1, d3sfia2
  • Heterogens: 3SF, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3sfiA (A:)
    mgsshhhhhhssglvprgshmttsaasqaslprgrrtarpsgddrelailataenlledr
    pladisvddlakgagisrptfyfyfpskeavlltlldrvvnqadmalqtlaenpadtdre
    nmwrtginvffetfgshkavtragqaaratsvevaelwstfmqkwiaytaavidaerdrg
    aaprtlpahelatalnlmnertlfasfageqpsvpearvldtlvhiwvtsiygenr
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sfiA (A:)
    gddrelailataenlledrpladisvddlakgagisrptfyfyfpskeavlltlldrvvn
    qadmalqtlaenpadtdrenmwrtginvffetfgshkavtragqaaratsvevaelwstf
    mqkwiaytaavidaerdrgaaprtlpahelatalnlmnertlfasfageqpsvpearvld
    tlvhiwvtsiyge