PDB entry 7tll

View 7tll on RCSB PDB site
Description: Structure of SARS-CoV-2 Mpro Omicron P132H in complex with Nirmatrelvir (PF-07321332)
Class: hydrolase/hydrolase inhibitor
Keywords: Protease, SARS-CoV-2, covalent complex, inhibitor, HYDROLASE-INHIBITOR complex, mutant, Omicron, P132H, nirmatrelvir, PF-07321332, HYDROLASE, HYDROLASE-HYDROLASE INHIBITOR complex
Deposited on 2022-01-18, released 2022-01-26
The last revision prior to the SCOPe 2.08 freeze date was dated 2022-01-26, with a file datestamp of 2022-01-21.
Experiment type: XRAY
Resolution: 1.63 Å
R-factor: N/A
AEROSPACI score: 0.51 (click here for full SPACI score report)

Chains and heterogens:

  • Chain 'A':
    Compound: 3C-like proteinase nsp5
    Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0DTC1 (0-305)
      • engineered mutation (131)
    Domains in SCOPe 2.08: d7tlla_
  • Chain 'B':
    Compound: 3C-like proteinase nsp5
    Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0DTC1 (0-305)
      • engineered mutation (131)
    Domains in SCOPe 2.08: d7tllb_
  • Heterogens: 4WI, HOH

PDB Chain Sequences:

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

    Sequence, based on observed residues (ATOM records): (download) 
    >7tllA (A:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrhnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
sg

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

    Sequence, based on observed residues (ATOM records): (download) 
    >7tllB (B:)
sgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllir
ksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyng
spsgvyqcamrhnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegn
fygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynye
pltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqc
sgv