PDB entry 5rg1

View 5rg1 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 NCL-00024905
Class: hydrolase/hydrolase inhibitor
Keywords: SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2020-03-18, released 2020-04-15
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-04-15, with a file datestamp of 2020-04-10.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: N/A
AEROSPACI score: 0.42 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: SARS-CoV-2 main protease
    Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
    Database cross-references and differences (RAF-indexed):
    • PDB 5RG1 (0-End)
    Domains in SCOPe 2.07: d5rg1a_
  • Heterogens: T9J, DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5rg1A (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
    ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
    fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
    sgvtfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5rg1A (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
    ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
    fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
    sgvt