PDB entry 4mk9

View 4mk9 on RCSB PDB site
Description: Hepatitis C Virus polymerase NS5B genotype 1b (BK) in complex with inhibitor 12 (N-{2-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1,3-benzoxazol-5-yl}methanesulfonamide)
Class: transferase/transferase inhibitor
Keywords: polymerase, transferase, ns5b, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2013-09-04, released 2013-10-09
The last revision prior to the SCOPe 2.05 freeze date was dated 2014-01-15, with a file datestamp of 2014-01-10.
Experiment type: XRAY
Resolution: 2.05 Å
R-factor: 0.187
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: RNA-directed RNA polymerase
    Species: Hepatitis C virus [TaxId:11105]
    Gene: NS5B
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26663 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.05: d4mk9a_
  • Chain 'B':
    Compound: RNA-directed RNA polymerase
    Species: Hepatitis C virus [TaxId:11105]
    Gene: NS5B
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26663 (1-End)
      • expression tag (0)
    Domains in SCOPe 2.05: d4mk9b_
  • Heterogens: 28R, GOL, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >4mk9A (A:)
    hmsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekmalydvvs
    tlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiy
    qccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkas
    aacraaklqdctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydl
    elitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlw
    armilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspg
    einrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpip
    aasrldlsgwfvagysggdiyhslsrarpr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mk9A (A:)
    hmsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqv
    vmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdl
    apearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacra
    aklqdctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydlelits
    cssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmil
    mthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrv
    asclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpipaasrl
    dlsgwfvagysggdiyh
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >4mk9B (B:)
    hmsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekmalydvvs
    tlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiy
    qccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkas
    aacraaklqdctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydl
    elitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlw
    armilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspg
    einrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpip
    aasrldlsgwfvagysggdiyhslsrarpr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4mk9B (B:)
    hmsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqv
    vmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdl
    apearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacra
    aklqdctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydlelits
    cssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmil
    mthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrv
    asclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpipaasrl
    dlsgwfvagysggdiyh