PDB entry 5etx

View 5etx on RCSB PDB site
Description: Crystal structure of HCV NS3/4A protease A156T variant in complex with 5172-Linear (MK-5172 linear analogue)
Class: hydrolase/hydrolase inhibitor
Keywords: macrocyclization, MK-5172 analogue, grazoprevir, HCV protease inhibitor resistance, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2015-11-18, released 2016-01-13
The last revision prior to the SCOPe 2.08 freeze date was dated 2019-12-11, with a file datestamp of 2019-12-06.
Experiment type: XRAY
Resolution: 2.35 Å
R-factor: N/A
AEROSPACI score: 0.23 (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 (Start-193)
      • expression tag (3-13)
      • conflict (26-27)
      • conflict (30-31)
      • conflict (34)
      • conflict (53)
      • conflict (60)
      • conflict (65)
      • conflict (85)
      • conflict (99)
      • engineered mutation (169)
      • engineered mutation (172)
    Domains in SCOPe 2.08: d5etxa1, d5etxa2
  • Chain 'B':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (17-193)
      • expression tag (1-16)
      • conflict (26-27)
      • conflict (30-31)
      • conflict (34)
      • conflict (53)
      • conflict (60)
      • conflict (65)
      • conflict (85)
      • conflict (99)
      • engineered mutation (169)
      • engineered mutation (172)
    Domains in SCOPe 2.08: d5etxb1, d5etxb2
  • Chain 'C':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (17-End)
      • expression tag (0-16)
      • conflict (26-27)
      • conflict (30-31)
      • conflict (34)
      • conflict (53)
      • conflict (60)
      • conflict (65)
      • conflict (85)
      • conflict (99)
      • engineered mutation (169)
      • engineered mutation (172)
    Domains in SCOPe 2.08: d5etxc1, d5etxc2
  • Chain 'D':
    Compound: NS3 protease
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot C1KIK8 (Start-193)
      • expression tag (2-13)
      • conflict (26-27)
      • conflict (30-31)
      • conflict (34)
      • conflict (53)
      • conflict (60)
      • conflict (65)
      • conflict (85)
      • conflict (99)
      • engineered mutation (169)
      • engineered mutation (172)
    Domains in SCOPe 2.08: d5etxd1, d5etxd2
  • Heterogens: ZN, 5RS, CL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >5etxA (A:)
kkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflat
singvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlyl
vtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvaka
vdfipveslettmr

    Sequence, based on observed residues (ATOM records): (download) 
    >5etxA (A:)
gsvvivgrinlayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsingvlw
tvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtrhadv
ipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvakavdfipve
slettmr

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >5etxB (B:)
kkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflat
singvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlyl
vtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvaka
vdfipveslettmr

    Sequence, based on observed residues (ATOM records): (download) 
    >5etxB (B:)
kkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflats
ingvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylv
trhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvakav
dfipveslettmr

  • Chain 'C':
    Sequence, based on SEQRES records: (download) 
    >5etxC (C:)
kkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflat
singvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlyl
vtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvaka
vdfipveslettmr

    Sequence, based on observed residues (ATOM records): (download) 
    >5etxC (C:)
kkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflat
singvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlyl
vtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvaka
vdfipveslettm

  • Chain 'D':
    Sequence, based on SEQRES records: (download) 
    >5etxD (D:)
kkkgsvvivgrinlsgdtayaqqtrgeegcqetsqtgrdknqvegevqivstatqtflat
singvlwtvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlyl
vtrhadvipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvaka
vdfipveslettmr

    Sequence, based on observed residues (ATOM records): (download) 
    >5etxD (D:)
kgsvvivgrinlyaqqtrgeegcqetsqtgrdknqvegevqivstatqtflatsingvlw
tvyhgagtrtiaspkgpvtqmytnvdkdlvgwqapqgsrsltpctcgssdlylvtrhadv
ipvrrrgdsrgsllsprpisylkgssggpllcpaghavgifrtavstrgvakavdfipve
slettmr