PDB entry 3wcb

View 3wcb on RCSB PDB site
Description: The complex structure of TcSQS with ligand, BPH1237
Class: transferase
Keywords: isoprenoids, drug discovery, Trypanosoma cruzi squalene synthase, BPH-1237, TRANSFERASE
Deposited on 2013-05-27, released 2014-06-18
The last revision prior to the SCOPe 2.06 freeze date was dated 2014-06-18, with a file datestamp of 2014-06-13.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.198
AEROSPACI score: 0.19 (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)
      • conflict (277)
    Domains in SCOPe 2.06: d3wcba_
  • 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)
      • conflict (277)
    Domains in SCOPe 2.06: d3wcbb_
  • 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)
      • conflict (277)
    Domains in SCOPe 2.06: d3wcbc_
  • 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)
      • conflict (277)
    Domains in SCOPe 2.06: d3wcbd_
  • Heterogens: 8PH, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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