PDB entry 6c2m

View 6c2m on RCSB PDB site
Description: Crystal structure of HCV NS3/4A protease variant Y56H in complex with MK-5172
Class: HYDROLASE/HYDROLASE Inhibitor
Keywords: NS3/4a Protease, Hepatitis C virus, Drug Resistance, protease inhibitor, HYDROLASE-HYDROLASE Inhibitor complex
Deposited on 2018-01-08, released 2019-01-16
The last revision prior to the SCOPe 2.07 freeze date was dated 2019-01-16, with a file datestamp of 2019-01-11.
Experiment type: XRAY
Resolution: 1.86 Å
R-factor: N/A
AEROSPACI score: 0.34 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (21-196)
      • expression tag (6-20)
      • engineered mutation (30-31)
      • engineered mutation (34-35)
      • engineered mutation (38)
      • engineered mutation (57)
      • engineered mutation (64)
      • engineered mutation (69)
      • engineered mutation (73)
      • engineered mutation (89)
      • engineered mutation (103)
      • engineered mutation (176)
    Domains in SCOPe 2.07: d6c2ma1, d6c2ma2
  • Chain 'B':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (21-196)
      • expression tag (6-20)
      • engineered mutation (30-31)
      • engineered mutation (34-35)
      • engineered mutation (38)
      • engineered mutation (57)
      • engineered mutation (64)
      • engineered mutation (69)
      • engineered mutation (73)
      • engineered mutation (89)
      • engineered mutation (103)
      • engineered mutation (176)
    Domains in SCOPe 2.07: d6c2mb1, d6c2mb2
  • Chain 'C':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (21-196)
      • expression tag (6-20)
      • engineered mutation (30-31)
      • engineered mutation (34-35)
      • engineered mutation (38)
      • engineered mutation (57)
      • engineered mutation (64)
      • engineered mutation (69)
      • engineered mutation (73)
      • engineered mutation (89)
      • engineered mutation (103)
      • engineered mutation (176)
    Domains in SCOPe 2.07: d6c2mc1, d6c2mc2
  • Chain 'D':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (21-196)
      • expression tag (6-20)
      • engineered mutation (30-31)
      • engineered mutation (34-35)
      • engineered mutation (38)
      • engineered mutation (57)
      • engineered mutation (64)
      • engineered mutation (69)
      • engineered mutation (73)
      • engineered mutation (89)
      • engineered mutation (103)
      • engineered mutation (176)
    Domains in SCOPe 2.07: d6c2md1, d6c2md2
  • Heterogens: ZN, SUE, SO4, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >6c2mA (A:)
    masmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqt
    flatsingvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgss
    dlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrg
    vakavdfipveslettm
    

    Sequence, based on observed residues (ATOM records): (download)
    >6c2mA (A:)
    kgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsi
    ngvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvt
    rhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrgvakavd
    fipveslettm
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >6c2mB (B:)
    masmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqt
    flatsingvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgss
    dlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrg
    vakavdfipveslettm
    

    Sequence, based on observed residues (ATOM records): (download)
    >6c2mB (B:)
    kgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsi
    ngvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvt
    rhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrgvakavd
    fipveslettm
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >6c2mC (C:)
    masmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqt
    flatsingvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgss
    dlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrg
    vakavdfipveslettm
    

    Sequence, based on observed residues (ATOM records): (download)
    >6c2mC (C:)
    kgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsi
    ngvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvt
    rhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrgvakavd
    fipveslettm
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >6c2mD (D:)
    masmkkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqt
    flatsingvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgss
    dlylvtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrg
    vakavdfipveslettm
    

    Sequence, based on observed residues (ATOM records): (download)
    >6c2mD (D:)
    kgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsi
    ngvlwtvhhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvt
    rhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifraavstrgvakavd
    fipveslettm