PDB entry 4tya

View 4tya on RCSB PDB site
Description: An Ligand-observed Mass Spectrometry-based Approach Integrated into the Fragment Based Lead Discovery Pipeline
Class: transferase/transferase inhibitor
Keywords: Inhibitor, NS5B, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2014-07-08, released 2015-05-06
The last revision prior to the SCOPe 2.08 freeze date was dated 2017-09-27, with a file datestamp of 2017-09-22.
Experiment type: XRAY
Resolution: 2.94 Å
R-factor: N/A
AEROSPACI score: 0.14 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Polyprotein
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4tyaa_
  • Chain 'B':
    Compound: Polyprotein
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4tyab_
  • Chain 'C':
    Compound: Polyprotein
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4tyac_
  • Chain 'D':
    Compound: Polyprotein
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d4tyad_
  • Heterogens: 3AE

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download)
    >4tyaA (A:)
    smsytwtgalitpcaaeesklpnsllrhhnmvyattsrsaglrqkkvtfdrlqvlddhyr
    dvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhihsvwkd
    lledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqvvmgss
    ygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdlapear
    qaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacraaklqd
    ctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydlelitscssnv
    svahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmilmthff
    sillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrvasclr
    klgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpisgwfvagysgg
    diyh
    

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

    Sequence, based on observed residues (ATOM records): (download)
    >4tyaB (B:)
    smsytwtgalitpcaaeesklpnsllrhhnmvyattsrsaglrqkkvtfdrlqvlddhyr
    dvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhihsvwkd
    lledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqvvmgss
    ygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdlapear
    qaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacraaklqd
    ctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydlelitscssnv
    svahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmilmthff
    sillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrvasclr
    klgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpisgwfvagysgg
    diyh
    

  • Chain 'C':
    Sequence, based on SEQRES records: (download)
    >4tyaC (C:)
    smsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekmalydvvs
    tlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiy
    qccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkas
    aacraaklqdctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydl
    elitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlw
    armilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspg
    einrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpip
    aasqldlsgwfvagysggdiyhslsr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4tyaC (C:)
    smsytwtgalitpcaaeesklpnsllrhhnmvyattsrsaglrqkkvtfdrlqvlddhyr
    dvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhihsvwkd
    lledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqvvmgss
    ygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdlapear
    qaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacraaklqd
    ctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydlelitscssnv
    svahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmilmthff
    sillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrvasclr
    klgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpisgwfvagysgg
    diyh
    

  • Chain 'D':
    Sequence, based on SEQRES records: (download)
    >4tyaD (D:)
    smsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
    ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
    svwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekmalydvvs
    tlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiy
    qccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkas
    aacraaklqdctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydl
    elitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlw
    armilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspg
    einrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpip
    aasqldlsgwfvagysggdiyhslsr
    

    Sequence, based on observed residues (ATOM records): (download)
    >4tyaD (D:)
    smsytwtgalitpcaaeesklpnsllrhhnmvyattsrsaglrqkkvtfdrlqvlddhyr
    dvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhihsvwkd
    lledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqvvmgss
    ygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdlapear
    qaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacraaklqd
    ctmlvngddlvvicesagtqedaaslrvfteamtrysappgdppqpeydlelitscssnv
    svahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmilmthff
    sillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrvasclr
    klgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpisgwfvagysgg
    diyh