PDB entry 2i1r

View 2i1r on RCSB PDB site
Description: Novel Thiazolones as HCV NS5B Polymerase Inhibitors: Further Designs, Synthesis, SAR and X-ray Complex Structure
Class: transferase
Keywords: hcv, ns5b, viral RNA-directed RNA Polymerase, RdRP, allosteric inhibitor, HCV inhibitor complex, transferase
Deposited on 2006-08-14, released 2006-10-31
The last revision prior to the SCOPe 2.08 freeze date was dated 2009-02-24, with a file datestamp of 2009-03-01.
Experiment type: XRAY
Resolution: 2.2 Å
R-factor: 0.236
AEROSPACI score: 0.36 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: RNA-directed RNA polymerase (NS5B) (p68)
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26663 (8-End)
      • expression tag (6-7)
      • conflict (334)
      • conflict (343)
      • conflict (549)
    Domains in SCOPe 2.08: d2i1ra2, d2i1ra3
  • Chain 'B':
    Compound: RNA-directed RNA polymerase (NS5B) (p68)
    Species: Hepatitis C virus [TaxId:11103]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P26663 (8-End)
      • expression tag (6-7)
      • conflict (334)
      • conflict (343)
      • conflict (549)
    Domains in SCOPe 2.08: d2i1rb2, d2i1rb3
  • Heterogens: VXR, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >2i1rA (A:)
ashhhhhhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtf
drlqvlddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlssk
avnhihsvwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekma
lydvvstlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendir
veesiyqccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntlt
cylkasaacraaklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdpp
qpeydlelitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniim
yaptlwarmilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafsl
hsyspgeinrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktkl
kltpipaasqldlsgwfvagysggdiyhslsrarpr

    Sequence, based on observed residues (ATOM records): (download) 
    >2i1rA (A:)
hhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
svwkdlledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqv
vmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdl
apearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacra
aklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdppqpeydlelits
cssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmil
mthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrv
asclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpipaasql
dlsgwfvagysggdiyhsl

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >2i1rB (B:)
ashhhhhhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtf
drlqvlddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlssk
avnhihsvwkdlledtvtpidttimaknevfcvqpekggrkparlivfpdlgvrvcekma
lydvvstlpqvvmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendir
veesiyqccdlapearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntlt
cylkasaacraaklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdpp
qpeydlelitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniim
yaptlwarmilmthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafsl
hsyspgeinrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktkl
kltpipaasqldlsgwfvagysggdiyhslsrarpr

    Sequence, based on observed residues (ATOM records): (download) 
    >2i1rB (B:)
hhsytwtgalitpcaaeesklpinalsnsllrhhnmvyattsrsaglrqkkvtfdrlqvl
ddhyrdvlkemkakastvkakllsveeackltpphsakskfgygakdvrnlsskavnhih
svwkdlledtvtpidttimaknevfcvqrkparlivfpdlgvrvcekmalydvvstlpqv
vmgssygfqyspgqrveflvntwkskknpmgfsydtrcfdstvtendirveesiyqccdl
apearqaikslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylkasaacra
aklqdctmlvngddlvvicesagvqedaaslrafteamtrysappgdppqpeydlelits
cssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptlwarmil
mthffsillaqeqlekaldcqiygacysiepldlpqiierlhglsafslhsyspgeinrv
asclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavktklkltpipaasql
dlsgwfvagysggdiyhslsr