PDB entry 4ok5

View 4ok5 on RCSB PDB site
Description: Crystal Structure of Hepatitis C Virus NS3 Helicase Inhibitor Co-complex with Compound 9 [1-(3-ethynylbenzyl)-1H-indol-3-yl]acetic acid]
Class: hydrolase/hydrolase inhibitor
Keywords: HEPATITIS, ATPase, NTPase, NS3 Helicase, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-01-21, released 2014-03-05
The last revision prior to the SCOPe 2.03 freeze date was dated 2014-04-02, with a file datestamp of 2014-03-28.
Experiment type: XRAY
Resolution: 2.15 Å
R-factor: 0.214
AEROSPACI score: 0.3 (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
      • conflict (338)
    Domains in SCOPe 2.03: d4ok5a1, d4ok5a2
  • Chain 'B':
    Compound: Serine protease NS3
    Species: Hepatitis C virus [TaxId:11103]
    Gene: NS3
    Database cross-references and differences (RAF-indexed):
    • Uniprot K4KA16
      • conflict (236)
      • conflict (338)
    Domains in SCOPe 2.03: d4ok5b1, d4ok5b2
  • Heterogens: CA, 2T2, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >4ok5A (A:)
mgsshhhhhhssgrspvftdnssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvl
vlnpsvaatlgfgaymskahgvdpnirtgvrtittgspitystygkfladggcsggaydi
iicdechstdatsilgigtvldqaetagarlvvlatatppgsvtvshpnieevalsttge
ipfygkaiplevikggrhlifchskkkcdelaaklvalginavayyrgldvsviptngdv
vvvstdalmtgftgdfdsvidcntcvtqtvdfsldptftietttlpqdavsrtqrrgrtg
rgkpgiyrfvapgerpsgmfdssvlcecydagcawyelmpaettvrlraymntpglpvcq
dhlefwegvftglthidahflsqtkqsgenfpylvayqatvcaraqapppswdqmwkcli
rlkptlhgptpllyrlgavqnevtlthpitkyimtcmsadlevv

    Sequence, based on observed residues (ATOM records): (download) 
    >4ok5A (A:)
ftdnssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvlvlnpsvaatlgfgayms
kahgvdpnirtgvrtittgspitystygkfladggcsggaydiiicdechstdatsilgi
gtvldqaetagarlvvlatatppgsvtvshpnieevalsttgeipfygkaiplevikggr
hlifchskkkcdelaaklvalginavayyrgldvsvipdvvvvstdalmttgdfdsvidc
ntcvtqtvdfsldptftietttlpqdavsrtqrrgrtgrgkpgiyrfvapgerpsgmfds
svlcecydagcawyelmpaettvrlraymntpglpvcqdhlefwegvftglthidahfls
qtkqsgenfpylvayqatvcaraqapppswdqmwkclirlkptlhgptpllyrlgavqne
vtlthpitkyimtcmsadlev

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >4ok5B (B:)
mgsshhhhhhssgrspvftdnssppavpqsfqvahlhaptgsgkstkvpaayaaqgykvl
vlnpsvaatlgfgaymskahgvdpnirtgvrtittgspitystygkfladggcsggaydi
iicdechstdatsilgigtvldqaetagarlvvlatatppgsvtvshpnieevalsttge
ipfygkaiplevikggrhlifchskkkcdelaaklvalginavayyrgldvsviptngdv
vvvstdalmtgftgdfdsvidcntcvtqtvdfsldptftietttlpqdavsrtqrrgrtg
rgkpgiyrfvapgerpsgmfdssvlcecydagcawyelmpaettvrlraymntpglpvcq
dhlefwegvftglthidahflsqtkqsgenfpylvayqatvcaraqapppswdqmwkcli
rlkptlhgptpllyrlgavqnevtlthpitkyimtcmsadlevv

    Sequence, based on observed residues (ATOM records): (download) 
    >4ok5B (B:)
nssppavpqsfqvahlhapttkvpaayaaqgykvlvlnpsvaatlgfgaymskahgspit
ystygkfladggcsggaydiiicdechstdatsilgigtvldqaetagarlvvlatatpp
gsvtvshpnieevalsttgeipfygkaiplevikggrhlifchskkkcdelaaklvalgi
navayyrgldvsviptngdvvvvstdalmtgdfdsvidcntcvtqtvdfsldptftiett
tlpqdavsrtqrrgrtgrgkpgiyrfvapgerpsgmfdssvlcecydagcawyelmpaet
tvrlraymntpglpvcqdhlefwegvftglthidahflsqtkqsgenfpylvayqatvca
raqapppswdqmwkclirlkptlhgptpllyrlgavqnevtlthpitkyimtcmsadlev