PDB entry 3sue

View 3sue on RCSB PDB site
Description: Crystal structure of NS3/4A protease variant R155K in complex with MK-5172
Class: hydrolase/inhibitor
Keywords: drug resistance, drug design, Protease inhibitors, HCV, serine protease, VIRAL PROTEIN, HYDROLASE-INHIBITOR complex
Deposited on 2011-07-11, released 2012-09-19
The last revision prior to the SCOPe 2.05 freeze date was dated 2012-09-19, with a file datestamp of 2012-09-14.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.188
AEROSPACI score: 0.38 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: NS3 protease, NS4A protein
    Species: Hepatitis C virus [TaxId:31646]
    Gene: NS3-NS4A
    Database cross-references and differences (RAF-indexed):
    • Uniprot A8DG50 (Start-20)
      • see remark 999 (11)
      • see remark 999 (18-19)
    • Uniprot A8DG50 (21-End)
      • engineered mutation (21-23)
      • engineered mutation (33-34)
      • engineered mutation (37-38)
      • engineered mutation (41)
      • engineered mutation (60)
      • engineered mutation (67)
      • engineered mutation (72)
      • engineered mutation (92)
      • engineered mutation (106)
      • engineered mutation (175)
      • engineered mutation (179)
    Domains in SCOPe 2.05: d3suea_
  • Chain 'B':
    Compound: NS3 protease, NS4A protein
    Species: Hepatitis C virus [TaxId:31646]
    Gene: NS3-NS4A
    Database cross-references and differences (RAF-indexed):
    • Uniprot A8DG50 (Start-20)
      • see remark 999 (11)
      • see remark 999 (18-19)
    • Uniprot A8DG50 (21-End)
      • engineered mutation (21-23)
      • engineered mutation (33-34)
      • engineered mutation (37-38)
      • engineered mutation (41)
      • engineered mutation (60)
      • engineered mutation (67)
      • engineered mutation (72)
      • engineered mutation (92)
      • engineered mutation (106)
      • engineered mutation (175)
      • engineered mutation (179)
    Domains in SCOPe 2.05: d3sueb_
  • Chain 'C':
    Compound: NS3 protease, NS4A protein
    Species: Hepatitis C virus [TaxId:31646]
    Gene: NS3-NS4A
    Database cross-references and differences (RAF-indexed):
    • Uniprot A8DG50 (Start-20)
      • see remark 999 (11)
      • see remark 999 (18-19)
    • Uniprot A8DG50 (21-End)
      • engineered mutation (21-23)
      • engineered mutation (33-34)
      • engineered mutation (37-38)
      • engineered mutation (41)
      • engineered mutation (60)
      • engineered mutation (67)
      • engineered mutation (72)
      • engineered mutation (92)
      • engineered mutation (106)
      • engineered mutation (175)
      • engineered mutation (179)
    Domains in SCOPe 2.05: d3suec_
  • Chain 'D':
    Compound: NS3 protease, NS4A protein
    Species: Hepatitis C virus [TaxId:31646]
    Gene: NS3-NS4A
    Database cross-references and differences (RAF-indexed):
    • Uniprot A8DG50 (Start-20)
      • see remark 999 (11)
      • see remark 999 (18-19)
    • Uniprot A8DG50 (21-End)
      • engineered mutation (21-23)
      • engineered mutation (33-34)
      • engineered mutation (37-38)
      • engineered mutation (41)
      • engineered mutation (60)
      • engineered mutation (67)
      • engineered mutation (72)
      • engineered mutation (92)
      • engineered mutation (106)
      • engineered mutation (175)
      • engineered mutation (179)
    Domains in SCOPe 2.05: d3sued_
  • Heterogens: SUE, ZN, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >3sueA (A:)
    gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
    tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
    gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
    trgvakavdfipveslettmrsp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sueA (A:)
    gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
    gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
    hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
    ipveslettm
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >3sueB (B:)
    gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
    tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
    gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
    trgvakavdfipveslettmrsp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sueB (B:)
    gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
    gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
    hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
    ipveslettm
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >3sueC (C:)
    gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
    tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
    gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
    trgvakavdfipveslettmrsp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sueC (C:)
    gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
    gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
    hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
    ipveslettm
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >3sueD (D:)
    gshmasmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivsta
    tqtflatsingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctc
    gssdlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavs
    trgvakavdfipveslettmrsp
    

    Sequence, based on observed residues (ATOM records): (download)
    >3sueD (D:)
    gsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsin
    gvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtr
    hadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifkaavstrgvakavdf
    ipveslettm