PDB entry 3wce

View 3wce on RCSB PDB site
Description: The complex structure of TcSQS with ligand, ER119884
Class: transferase
Keywords: isoprenoids, drug discovery, Trypanosoma cruzi squalene synthase, ER-119884, TRANSFERASE
Deposited on 2013-05-27, released 2014-06-18
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-06-18, with a file datestamp of 2014-06-13.
Experiment type: XRAY
Resolution: 2.75 Å
R-factor: 0.213
AEROSPACI score: 0.21 (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 2.07: d3wcea_
  • 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 2.07: d3wceb_
  • 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 2.07: d3wcec_
  • 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 2.07: d3wced_
  • Heterogens: ER4, HOH

PDB Chain Sequences:

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

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

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

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

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

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

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

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