PDB entry 7bgp

View 7bgp on RCSB PDB site
Description: Crystal structure of MG-132 covalently bound to the main protease (3CLpro/Mpro) of SARS-CoV-2 in absence of DTT.
Class: viral protein
Keywords: SARS-CoV-2, Mpro, 3CLpro, EXSCALATE4COV, drug discovery, Elettra, VIRAL PROTEIN, MG-132
Deposited on 2021-01-08, released 2021-03-03
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-03-03, with a file datestamp of 2021-02-26.
Experiment type: XRAY
Resolution: 1.68 Å
R-factor: N/A
AEROSPACI score: 0.47 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: main protease
    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: d7bgpa_
  • Chain 'B':
    Compound: main protease
    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: d7bgpb_
  • Heterogens: ALD, EDO, CL, NA, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >7bgpA (A:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
s

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

    Sequence, based on observed residues (ATOM records): (download) 
    >7bgpB (B:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
sgvtf