PDB entry 2op9

View 2op9 on RCSB PDB site
Description: Substrate Specificity Profiling and Identification of a New Class of Inhibitor for the Major Protease of the SARS Coronavirus
Class: hydrolase
Keywords: SARS, 3Clpro, proteinase, protease, HYDROLASE
Deposited on 2007-01-27, released 2007-07-17
The last revision prior to the SCOPe 2.06 freeze date was dated 2009-02-24, with a file datestamp of 2009-02-03.
Experiment type: XRAY
Resolution: 1.8 Å
R-factor: 0.172
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like proteinase (3CL-PRO, 3CLp)
    Species: SARS coronavirus [TaxId:227859]
    Gene: 3Clpro
    Database cross-references and differences (RAF-indexed):
    • Uniprot P59641 (1-301)
      • cloning artifact (0)
    Domains in SCOPe 2.06: d2op9a2, d2op9a3
  • Chain 'B':
    Compound: Replicase polyprotein 1ab (pp1ab, ORF1AB) 3C-like proteinase (3CL-PRO, 3CLp)
    Species: SARS coronavirus [TaxId:227859]
    Gene: 3Clpro
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.06: d2op9b_
  • Heterogens: WR1, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >2op9A (A:)
    asgfrkmafpsgkvegcmvqvtcgtttlnglwlddtvycprhvictaedmlnpnyedlli
    rksnhsflvqagnvqlrvighsmqncllrlkvdtsnpktpkykfvriqpgqtfsvlacyn
    gspsgvyqcamrpnhtikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdleg
    kfygpfvdrqtaqaagtdttitlnvlawlyaavingdrwflnrftttlndfnlvamkyny
    epltqdhvdilgplsaqtgiavldmcaalkellqngmngrtilgstiledeftpfdvvrq
    cs
    

  • Chain 'B':
    Sequence, based on SEQRES records: (download)
    >2op9B (B:)
    asgfrkmafpsgkvegcmvqvtcgtttlnglwlddtvycprhvictaedmlnpnyedlli
    rksnhsflvqagnvqlrvighsmqncllrlkvdtsnpktpkykfvriqpgqtfsvlacyn
    gspsgvyqcamrpnhtikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdleg
    kfygpfvdrqtaqaagtdttitlnvlawlyaavingdrwflnrftttlndfnlvamkyny
    epltqdhvdilgplsaqtgiavldmcaalkellqngmngrtilgstiledeftpfdvvrq
    cs
    

    Sequence, based on observed residues (ATOM records): (download)
    >2op9B (B:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddtvycprhvictedmlnpnyedllirk
    snhsflvqagnvqlrvighsmqncllrlkvdtsnpktpkykfvriqpgqtfsvlacyngs
    psgvyqcamrpnhtikgsflngscgsvgfnidycvsfcymhhmelptgvhagtdlegkfy
    gpfvdrqtaqaagtdttitlnvlawlyaavingdrwflnrftttlndfnlvamkynyepl
    tqdhvdilgplsaqtgiavldmcaalkellqngmngrtilgstiledeftpfdvvrqcs