PDB entry 3qge

View 3qge on RCSB PDB site
Description: Crystal structure of the hepatitis C virus NS5B RNA-dependent RNA polymerase complex with (2E)-3-(4-{[(1-{[(13-cyclohexyl-6-oxo-6,7-dihydro-5H-indolo[1,2-d][1,4]benzodiazepin-10-yl)carbonyl]amino}cyclopentyl)carbonyl]amino}phenyl)prop-2-enoic acid and (2R)-4-(2,6-dimethoxypyrimidin-4-yl)-N-(4-methoxybenzyl)-1-{[4-(trifluoromethoxy)phenyl]sulfonyl}piperazine-2-carboxamide
Class: transferase/transferase inhibitor
Keywords: NS5B, POLYMERASE, HCV, FINGERS, PALM, THUMB, TRANSFERASE-TRANSFERASE INHIBITOR complex
Deposited on 2011-01-24, released 2011-04-20
The last revision prior to the SCOPe 2.05 freeze date was dated 2011-04-20, with a file datestamp of 2011-04-15.
Experiment type: XRAY
Resolution: 3 Å
R-factor: 0.238
AEROSPACI score: 0.22 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: RNA-directed RNA polymerase
    Species: Hepatitis C virus subtype 1b [TaxId:31647]
    Gene: NS5B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3qgea_
  • Chain 'B':
    Compound: RNA-directed RNA polymerase
    Species: Hepatitis C virus subtype 1b [TaxId:31647]
    Gene: NS5B
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.05: d3qgeb_
  • Heterogens: 23E, SO4, 26F, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >3qgeA (A:)
msmsytwtgalitpcaaeetklpinalsnsllrhhnlvyattsrsaslrqkkvtfdrlqv
lddhyrdvlkemkakastvkakllsveeackltpphsarskfgygakdvrnlsskavnhi
rsvwkdlledtetpidttimaknevfcvqpekggrkparlivfpdlgvrvcekmalydvv
stlpqavmgssygfqyspgqrveflvnawkakkcpmgfaydtrcfdstvtendirveesi
yqccdlapearqairslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylka
aaacraaklqdctmlvcgddlvvicesagtqedeaslrafteamtrysappgdppkpeyd
lelitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptl
warmilmthffsillaqeqlekaldcqiygacysiepldlpqiiqrlhglsafslhsysp
geinrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavrtklkltpi
paasqldlsswfvagysggdiyhslsrarprwfm

    Sequence, based on observed residues (ATOM records): (download) 
    >3qgeA (A:)
smsytwtgalitpcyattsrsaslrqkkvtfdrlqvlddhyrdvlkemkakastvkakll
sveeackltpphsarskfgygakdvrnlsskavnhirsvwkdlledtetpidttimakne
vfcvqpekggrkparlivfpdlgvrvcekmalydvvstlpqavmgssygfqyspgqrvef
lvnawkakkcpmgfaydtrcfdstvtendirveesiyqccdlapearqairslterlyig
gpltnskgqncgyrrcrasgvlttscgntltcylkaaaacraaklqdctmlvcgddlvvi
cesagtqedeaslrafteamtrysappgdppkpeydlelitscssnvsvahdasgkrvyy
ltrdpttplaraawetarhtpvnswlgniimyaptlwarmilmthffsillaqeqlekal
dcqiygacysiepldlpqiiqrlhglsafslhsyspgeinrvasclrklgvpplrvwrhr
arsvrarllsqggraatcgkylfnwavrtklkltpipaasqldlsswfvagysggdiyhs
l

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >3qgeB (B:)
msmsytwtgalitpcaaeetklpinalsnsllrhhnlvyattsrsaslrqkkvtfdrlqv
lddhyrdvlkemkakastvkakllsveeackltpphsarskfgygakdvrnlsskavnhi
rsvwkdlledtetpidttimaknevfcvqpekggrkparlivfpdlgvrvcekmalydvv
stlpqavmgssygfqyspgqrveflvnawkakkcpmgfaydtrcfdstvtendirveesi
yqccdlapearqairslterlyiggpltnskgqncgyrrcrasgvlttscgntltcylka
aaacraaklqdctmlvcgddlvvicesagtqedeaslrafteamtrysappgdppkpeyd
lelitscssnvsvahdasgkrvyyltrdpttplaraawetarhtpvnswlgniimyaptl
warmilmthffsillaqeqlekaldcqiygacysiepldlpqiiqrlhglsafslhsysp
geinrvasclrklgvpplrvwrhrarsvrarllsqggraatcgkylfnwavrtklkltpi
paasqldlsswfvagysggdiyhslsrarprwfm

    Sequence, based on observed residues (ATOM records): (download) 
    >3qgeB (B:)
smsytwtgalitpcyattsrsaslrqkkvtfdrlqvlddhyrdvlkemkakastvkakll
sveeackltpphsarskfgygakdvrnlsskavnhirsvwkdlledtetpidttimakne
vfcvqpekggrkparlivfpdlgvrvcekmalydvvstlpqavmgssygfqyspgqrvef
lvnawkakkcpmgfaydtrcfdstvtendirveesiyqccdlapearqairslterlyig
gpltnskgqncgyrrcrasgvlttscgntltcylkaaaacraaklqdctmlvcgddlvvi
cesagtqedeaslrafteamtrysappgdppkpeydlelitscssnvsvahdasgkrvyy
ltrdpttplaraawetarhtpvnswlgniimyaptlwarmilmthffsillaqeqlekal
dcqiygacysiepldlpqiiqrlhglsafslhsyspgeinrvasclrklgvpplrvwrhr
arsvrarllsqggraatcgkylfnwavrtklkltpipaasqldlwfvagys