PDB entry 5r8t

View 5r8t on RCSB PDB site
Description: PanDDA analysis group deposition of ground-state model of SARS-CoV-2 main protease screened against DSI poised (Enamine), Fraglites and Peplites (Newcastle university), Mini Frags (Astex), York 3D (York university), electrophile cysteine covalent (Weizman institute) fragment libraries
Class: hydrolase
Keywords: SGC - Diamond I04-1 fragment screening, PanDDA, XChemExplorer, HYDROLASE
Deposited on 2020-03-25, released 2020-04-01
The last revision prior to the SCOPe 2.07 freeze date was dated 2020-04-01, with a file datestamp of 2020-03-27.
Experiment type: XRAY
Resolution: 1.27 Å
R-factor: N/A
AEROSPACI score: 0.6 (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 5R8T (0-End)
    Domains in SCOPe 2.07: d5r8ta_
  • Heterogens: DMS, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download)
    >5r8tA (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
    ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
    fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
    sgvtfq
    

    Sequence, based on observed residues (ATOM records): (download)
    >5r8tA (A:)
    sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
    ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
    spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
    fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
    pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
    sgvt