PDB entry 3qgd

View 3qgd 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)-1-[(4-ethylphenyl)sulfonyl]-N-(4-methoxybenzyl)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 2.06 freeze date was dated 2011-04-20, with a file datestamp of 2011-04-15.
Experiment type: XRAY
Resolution: 2.6 Å
R-factor: 0.234
AEROSPACI score: 0.29 (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 2.06: d3qgda_
  • 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 2.06: d3qgdb_
  • Heterogens: 23E, SO4, 26S, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3qgdA (A:)
smsytwtgalitpcrsaslrqkkvtfdrlqvlddhyrdvlkemkakastvkakllsveea
ckltpphsarskfgygakdvrnlsskavnhirsvwkdlledtetpidttimaknevfcvq
pekggrkparlivfpdlgvrvcekmalydvvstlpqavmgssygfqyspgqrveflvnaw
kakkcpmgfaydtrcfdstvtendirveesiyqccdlapearqairslterlyiggpltn
skgqncgyrrcrasgvlttscgntltcylkaaaacraaklqdctmlvcgddlvvicesag
tqedeaslrafteamtrysappgdppkpeydlelitscssnvsvahdasgkrvyyltrdp
ttplaraawetarhtpvnswlgniimyaptlwarmilmthffsillaqeqlekaldcqiy
gacysiepldlpqiiqrlhglsafslhsyspgeinrvasclrklgvpplrvwrhrarsvr
arllsqggraatcgkylfnwavrtklkltpipaasqldlsswfvagysggdiyhslsr

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

    Sequence, based on observed residues (ATOM records): (download) 
    >3qgdB (B:)
smsytwtgalitpcsrsaslrqkkvtfdrlqvlddhyrdvlkemkakastvkakllsvee
ackltpphsarskfgygakdvrnlsskavnhirsvwkdlledtetpidttimaknevfcv
qpekggrkparlivfpdlgvrvcekmalydvvstlpqavmgssygfqyspgqrveflvna
wkakkcpmgfaydtrcfdstvtendirveesiyqccdlapearqairslterlyiggplt
nskgqncgyrrcrasgvlttscgntltcylkaaaacraaklqdctmlvcgddlvvicesa
gtqedeaslrafteamtrysappgdppkpeydlelitscssnvsvahdasgkrvyyltrd
pttplaraawetarhtpvnswlgniimyaptlwarmilmthffsillaqeqlekaldcqi
ygacysiepldlpqiiqrlhglsafslhsyspgeinrvasclrklgvpplrvwrhrarsv
rarllsqggraatcgkylfnwavrtklkltpipaa