PDB entry 4tww

View 4tww on RCSB PDB site
Description: Structure of SARS-3CL protease complex with a Bromobenzoyl (S,R)-N-decalin type inhibitor
Class: hydrolase/hydrolase inhibitor
Keywords: hydrase proteinase converting, designed inhibitor, hydrase-inhibitor complex, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2014-07-02, released 2015-02-18
The last revision prior to the SCOPe 2.06 freeze date was dated 2015-02-18, with a file datestamp of 2015-02-13.
Experiment type: XRAY
Resolution: 2.42 Å
R-factor: 0.233
AEROSPACI score: 0.24 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3C-like proteinase
    Species: Human SARS coronavirus [TaxId:227859]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0C6X7 (0-305)
      • see remark 999 (187)
    Domains in SCOPe 2.06: d4twwa_
  • Chain 'B':
    Compound: 3C-like proteinase
    Species: Human SARS coronavirus [TaxId:227859]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0C6X7 (0-305)
      • see remark 999 (187)
    Domains in SCOPe 2.06: d4twwb_
  • Heterogens: 3A7, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4twwA (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddtvycprhvictaedmlnpnyedllir
    ksnhsflvqagnvqlrvighsmqncllrlkvdtsnpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnhtikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegk
    fygpfvdiqtaqaagtdttitlnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaalkellqngmngrtilgstiledeftpfdvvrqc
    sgvtfq
    

  • Chain 'B':
    Sequence; same for both SEQRES and ATOM records: (download)
    >4twwB (B:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddtvycprhvictaedmlnpnyedllir
    ksnhsflvqagnvqlrvighsmqncllrlkvdtsnpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnhtikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegk
    fygpfvdiqtaqaagtdttitlnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaalkellqngmngrtilgstiledeftpfdvvrqc
    sgvtfq