PDB entry 2ijn

View 2ijn on RCSB PDB site
Description: Isothiazoles as active-site inhibitors of HCV NS5B polymerase
Class: transcription,transferase
Keywords: HCV; NS5B; Viral RNA directed RNA polymerase; RDRP; active site; covalent inhibitor, TRANSCRIPTION,TRANSFERASE
Deposited on 2006-09-29, released 2006-11-28
The last revision prior to the SCOPe 2.07 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.222
AEROSPACI score: 0.37 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: RNA polymerase NS5B
    Species: Hepatitis C virus subtype 1b [TaxId:31647]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q99AU2 (8-End)
      • expression tag (6-7)
      • conflict (334)
      • conflict (343)
    Domains in SCOPe 2.07: d2ijna2, d2ijna3
  • Chain 'B':
    Compound: RNA polymerase NS5B
    Species: Hepatitis C virus subtype 1b [TaxId:31647]
    Database cross-references and differences (RAF-indexed):
    • Uniprot Q99AU2 (8-End)
      • expression tag (6-7)
      • conflict (334)
      • conflict (343)
    Domains in SCOPe 2.07: d2ijnb2, d2ijnb3
  • Heterogens: 221, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >2ijnA (A:)
    ashhhhhhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtf
    drlqvlddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlssk
    avnhihsvwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekma
    lydvvstlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendir
    veesiyqccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntlt
    cylkasaacraaklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdpp
    qpeydlelitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniim
    yaptlwarmilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafsl
    hsyspgeinrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktkl
    kltpipaasqldlsgwfvagysggdiyhslsrarpr
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ijnA (A:)
    hhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqv
    vmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdl
    apearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacra
    aklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdppqpeydlelits
    cssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmil
    mthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrv
    asclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpipaasql
    dlsgwfvagysggdiyhsl
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2ijnB (B:)
    ashhhhhhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtf
    drlqvlddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlssk
    avnhihsvwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekma
    lydvvstlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendir
    veesiyqccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntlt
    cylkasaacraaklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdpp
    qpeydlelitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniim
    yaptlwarmilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafsl
    hsyspgeinrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktkl
    kltpipaasqldlsgwfvagysggdiyhslsrarpr
    

    Sequence, based on observed residues (ATOM records): (download)
    >2ijnB (B:)
    hhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqv
    vmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdl
    apearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacra
    aklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdppqpeydlelits
    cssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmil
    mthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrv
    asclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpipaasql
    dlsgwfvagysggdiyhslsr