PDB entry 7n44

View 7n44 on RCSB PDB site
Description: Crystal structure of the SARS-CoV-2 (2019-NCoV) main protease in complex with 5-(3-{3-chloro-5-[(5-methyl-1,3-thiazol-4-yl)methoxy]phenyl}-2-oxo-2H-[1,3'-bipyridin]-5-yl)pyrimidine-2,4(1H,3H)-dione (compound 13)
Class: hydrolase
Keywords: novel coronavirus, antiviral, drug design, viral protein, HYDROLASE
Deposited on 2021-06-03, released 2021-07-21
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-07-21, with a file datestamp of 2021-07-16.
Experiment type: XRAY
Resolution: 1.94 Å
R-factor: N/A
AEROSPACI score: 0.39 (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: d7n44a_
  • Heterogens: 06I, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7n44A (A:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
sgvtfq

    Sequence, based on observed residues (ATOM records): (download) 
    >7n44A (A:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvicedmlnpnyedllirks
nhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyngsp
sgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegnfy
gpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnftttlndfnlvamkynyeplt
qdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqcs