PDB entry 4oks

View 4oks on RCSB PDB site
Description: Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 19 [[6-(3,5-diaminophenyl)-1-(2-methoxy-5-nitrobenzyl)-1H-indol-3-yl]acetic acid]
Class: hydrolase/hydrolase inhibitor
Keywords: HEPATITIS, ATPase, NTPase, NS3 Helicase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-01-22, released 2014-03-05
The last revision prior to the SCOPe 2.07 freeze date was dated 2014-04-02, with a file datestamp of 2014-03-28.
Experiment type: XRAY
Resolution: 2.25 Å
R-factor: 0.207
AEROSPACI score: 0.29 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Serine protease NS3
    Species: Hepatitis C virus [TaxId:11103]
    Gene: NS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot K4KA16 (Start-463)
      • conflict (236)
      • conflict (338)
    Domains in SCOPe 2.07: d4oksa1
  • Chain 'B':
    Compound: Serine protease NS3
    Species: Hepatitis C virus [TaxId:11103]
    Gene: NS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot K4KA16 (Start-463)
      • conflict (236)
      • conflict (338)
    Domains in SCOPe 2.07: d4oksb1, d4oksb2
  • Heterogens: 2T9, CA, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4oksA (A:)
mgsshhhhhhssgrspvftdnssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvl
vlnpsvaatlgfgaymskahgvdpnirtgvrtittgspitystygkfladggcsggaydi
iicdechstdatsilgigtvldqaetagarlvvlatatppgsvtvshpnieevalsttge
ipfygkaiplevikggrhlifchskkkcdelaaklvalginavayyrgldvsviptngdv
vvvstdalmtgftgdfdsvidcntcvtqtvdfsldptftietttlpqdavsrtqrrgrtg
rgkpgiyrfvapgerpsgmfdssvlcecydagcawyelmpaettvrlraymntpglpvcq
dhlefwegvftglthidahflsqtkqsgenfpylvayqatvcaraqapppswdqmwkcli
rlkptlhgptpllyrlgavqnevtlthpitkyimtcmsadlevv

    Sequence, based on observed residues (ATOM records): (download) 
    >4oksA (A:)
ftdnssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvlvlnpsvaatlgfgayms
kahgvdpnirtgvrtittgspitystygkfladggcsggaydiiicdechstdatsilgi
gtvldqaetagarlvvlatatppgsvtvshpnieevalsttgeipfygkaiplevigrhl
ifchskkkcdelaaklvalginavayyrgldvsviptngdvvvvstdalgdfdsvidcnt
cvtqtvdfsldptftietttlpqdavsrtqrrgrtgrgkpgiyrfvapgerpsgmfdssv
lcecydagcawyelmpaettvrlraymntpglpvcqdhlefwegvftglthidahflsqt
kqsgenfpylvayqatvcaraqapppswdqmwkclirlkptlhgptpllyrlgavqnevt
lthpitkyimtcmsadlevv

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4oksB (B:)
mgsshhhhhhssgrspvftdnssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvl
vlnpsvaatlgfgaymskahgvdpnirtgvrtittgspitystygkfladggcsggaydi
iicdechstdatsilgigtvldqaetagarlvvlatatppgsvtvshpnieevalsttge
ipfygkaiplevikggrhlifchskkkcdelaaklvalginavayyrgldvsviptngdv
vvvstdalmtgftgdfdsvidcntcvtqtvdfsldptftietttlpqdavsrtqrrgrtg
rgkpgiyrfvapgerpsgmfdssvlcecydagcawyelmpaettvrlraymntpglpvcq
dhlefwegvftglthidahflsqtkqsgenfpylvayqatvcaraqapppswdqmwkcli
rlkptlhgptpllyrlgavqnevtlthpitkyimtcmsadlevv

    Sequence, based on observed residues (ATOM records): (download) 
    >4oksB (B:)
nssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvlvlnpsvaatlgfgaymskah
gtgspitystygkfladggcsggaydiiicdechstdatsilgigtvldqaetagarlvv
latatppgsvtvshpnieevalsttgeipfygkaiplevikggrhlifchskkkcdelaa
klvalginavayyrgldvsviptngdvvvvstdalmgdfdsvidcntcvtqtvdfsldpt
ftietttlpqdavsrtqrrgrtgrgkpgiyrfvapgerpsgmfdssvlcecydagcawye
lmpaettvrlraymntpglpvcqdhlefwegvftglthidahflsqtkqsgenfpylvay
qatvcaraqapppswdqmwkclirlkptlhgptpllyrlgavqnevtlthpitkyimtcm
sadlevv