PDB entry 3wsb

View 3wsb on RCSB PDB site
Description: The Tuberculosis Drug SQ109 Inhibits Trypanosoma cruzi Cell Proliferation and acts Synergistically with Posaconazole
Class: transferase/transferase inhibitor
Keywords: isoprenoids, drug discovery, Trypanosoma cruzi squalene synthase, SQ109, FSPP, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-03-05, released 2015-04-01
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-04-01, with a file datestamp of 2015-03-27.
Experiment type: XRAY
Resolution: 2.4 Å
R-factor: N/A
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Farnesyltransferase, putative
    Species: Trypanosoma cruzi [TaxId:353153]
    Gene: Tc00.1047053508369.20
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q4CWB4 (Start-364)
      • engineered mutation (78)
    Domains in SCOPe 2.06: d3wsba_
  • Chain 'B':
    Compound: Farnesyltransferase, putative
    Species: Trypanosoma cruzi [TaxId:353153]
    Gene: Tc00.1047053508369.20
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q4CWB4 (Start-364)
      • engineered mutation (78)
    Domains in SCOPe 2.06: d3wsbb_
  • Chain 'C':
    Compound: Farnesyltransferase, putative
    Species: Trypanosoma cruzi [TaxId:353153]
    Gene: Tc00.1047053508369.20
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q4CWB4 (Start-364)
      • engineered mutation (78)
    Domains in SCOPe 2.06: d3wsbc_
  • Chain 'D':
    Compound: Farnesyltransferase, putative
    Species: Trypanosoma cruzi [TaxId:353153]
    Gene: Tc00.1047053508369.20
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q4CWB4 (Start-364)
      • engineered mutation (78)
    Domains in SCOPe 2.06: d3wsbd_
  • Heterogens: FPS, RWZ, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3wsbA (A:)
    mgsshhhhhhssglvprgshmacndedlrfcydilqavsrsfavvimeldeemrdavcif
    ylvlraldtveddmsipvefklrelpkfhehlhdttwcmsgvgvgrerellerythvtra
    ysrlgkayqdvisgicermangmcdfltrkvetkadydlychyvaglvghgltllyvssg
    ledvrladdltnanhmglflqktniirdfyedicevpprvfwpreiwekytddlhafkde
    lheakaveclnamvadalvhvphvveylaslrdpsvfafsaipqvmamatlslvfnnkdv
    fhtkvkttrgatarifhystelqatlqmlktytlrlaarmnaqdacydriehlvndaira
    meshq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3wsbA (A:)
    dedlrfcydilqavsrsfavvimeldeemrdavcifylvlraldtveddmsipvefklre
    lpkfhehlhdttwcmsgvgvgrerellerythvtraysrlgkayqdvisgicermangmc
    dfltrkvetkadydlychyvaglvghgltllyvssgledvrladdltnanhmglflqktn
    iirdfyedicevpprvfwpreiwekytddlhafkdelheakaveclnamvadalvhvphv
    veylaslrdpsvfafsaipqvmamatlslvfnnkdvfhtkvkttrgatarifhystelqa
    tlqmlktytlrlaarmnaqdacydriehlvndairameshq
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3wsbB (B:)
    mgsshhhhhhssglvprgshmacndedlrfcydilqavsrsfavvimeldeemrdavcif
    ylvlraldtveddmsipvefklrelpkfhehlhdttwcmsgvgvgrerellerythvtra
    ysrlgkayqdvisgicermangmcdfltrkvetkadydlychyvaglvghgltllyvssg
    ledvrladdltnanhmglflqktniirdfyedicevpprvfwpreiwekytddlhafkde
    lheakaveclnamvadalvhvphvveylaslrdpsvfafsaipqvmamatlslvfnnkdv
    fhtkvkttrgatarifhystelqatlqmlktytlrlaarmnaqdacydriehlvndaira
    meshq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3wsbB (B:)
    dedlrfcydilqavsrsfavvimeldeemrdavcifylvlraldtveddmsipvefklre
    lpkfhehlhdttwcmsgvgvgrerellerythvtraysrlgkayqdvisgicermangmc
    dfltrkvetkadydlychyvaglvghgltllyvssgledvrladdltnanhmglflqktn
    iirdfyedicevpprvfwpreiwekytddlhafkdelheakaveclnamvadalvhvphv
    veylaslrdpsvfafsaipqvmamatlslvfnnkdvfhtkvkttrgatarifhystelqa
    tlqmlktytlrlaarmnaqdacydriehlvndairameshq
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3wsbC (C:)
    mgsshhhhhhssglvprgshmacndedlrfcydilqavsrsfavvimeldeemrdavcif
    ylvlraldtveddmsipvefklrelpkfhehlhdttwcmsgvgvgrerellerythvtra
    ysrlgkayqdvisgicermangmcdfltrkvetkadydlychyvaglvghgltllyvssg
    ledvrladdltnanhmglflqktniirdfyedicevpprvfwpreiwekytddlhafkde
    lheakaveclnamvadalvhvphvveylaslrdpsvfafsaipqvmamatlslvfnnkdv
    fhtkvkttrgatarifhystelqatlqmlktytlrlaarmnaqdacydriehlvndaira
    meshq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3wsbC (C:)
    dedlrfcydilqavsrsfavvimeldeemrdavcifylvlraldtveddmsipvefklre
    lpkfhehlhdttwcmsgvgvgrerellerythvtraysrlgkayqdvisgicermangmc
    dfltrkvetkadydlychyvaglvghgltllyvssgledvrladdltnanhmglflqktn
    iirdfyedicevpprvfwpreiwekytddlhafkdelheakaveclnamvadalvhvphv
    veylaslrdpsvfafsaipqvmamatlslvfnnkdvfhtkvkttrgatarifhystelqa
    tlqmlktytlrlaarmnaqdacydriehlvndairameshq
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3wsbD (D:)
    mgsshhhhhhssglvprgshmacndedlrfcydilqavsrsfavvimeldeemrdavcif
    ylvlraldtveddmsipvefklrelpkfhehlhdttwcmsgvgvgrerellerythvtra
    ysrlgkayqdvisgicermangmcdfltrkvetkadydlychyvaglvghgltllyvssg
    ledvrladdltnanhmglflqktniirdfyedicevpprvfwpreiwekytddlhafkde
    lheakaveclnamvadalvhvphvveylaslrdpsvfafsaipqvmamatlslvfnnkdv
    fhtkvkttrgatarifhystelqatlqmlktytlrlaarmnaqdacydriehlvndaira
    meshq
    

    Sequence, based on observed residues (ATOM records): (download)
    >3wsbD (D:)
    dedlrfcydilqavsrsfavvimeldeemrdavcifylvlraldtveddmsipvefklre
    lpkfhehlhdttwcmsgvgvgrerellerythvtraysrlgkayqdvisgicermangmc
    dfltrkvetkadydlychyvaglvghgltllyvssgledvrladdltnanhmglflqktn
    iirdfyedicevpprvfwpreiwekytddlhafkdelheakaveclnamvadalvhvphv
    veylaslrdpsvfafsaipqvmamatlslvfnnkdvfhtkvkttrgatarifhystelqa
    tlqmlktytlrlaarmnaqdacydriehlvndairameshq