PDB entry 5rgu

View 5rgu on RCSB PDB site
Description: PanDDA analysis group deposition SARS-CoV-2 main protease fragment screen -- Crystal Structure of SARS-CoV-2 main protease in complex with Z4444622180 (Mpro-x2562)
Class: hydrolase/hydrolase inhibitor
Keywords: SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2020-05-15, released 2020-05-27
The last revision prior to the SCOPe 2.08 freeze date was dated 2020-05-27, with a file datestamp of 2020-05-22.
Experiment type: XRAY
Resolution: 2.11 Å
R-factor: N/A
AEROSPACI score: 0.28 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3C-like proteinase
    Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed): Domains in SCOPe 2.08: d5rgua_
  • Heterogens: UGD, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5rguA (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
    ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
    fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
    sgvtfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5rguA (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
    ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
    fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
    sgvt