PDB entry 7lku

View 7lku on RCSB PDB site
Description: 1.65 A resolution structure of SARS-CoV-2 3CL protease in complex with inhibitor 3b (deuterated analog of inhibitor 2a)
Class: hydrolase/inhibitor
Keywords: COVID-19, PROTEASE, severe acute respiratory syndrome coronavirus 2, SARS-CoV-2 3CL protease Inhhibitors, HYDROLASE-INHIBITOR complex
Deposited on 2021-02-02, released 2021-02-17
The last revision prior to the SCOPe 2.08 freeze date was dated 2021-07-14, with a file datestamp of 2021-07-09.
Experiment type: XRAY
Resolution: 1.65 Å
R-factor: N/A
AEROSPACI score: 0.5 (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):
    • Uniprot P0DTD1 (4-308)
      • expression tag (0-3)
    Domains in SCOPe 2.08: d7lkua_
  • Chain 'B':
    Compound: 3C-like proteinase
    Species: Severe acute respiratory syndrome coronavirus 2 [TaxId:2697049]
    Gene: rep, 1a-1b
    Database cross-references and differences (RAF-indexed):
    • Uniprot P0DTD1 (4-308)
      • expression tag (0-3)
    Domains in SCOPe 2.08: d7lkub_
  • Heterogens: Y4D, Y5S, Y8Y, Y91, HOH

PDB Chain Sequences:

  • Chain 'A':
    Sequence, based on SEQRES records: (download) 
    >7lkuA (A:)
snigsgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyed
llirksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvla
cyngspsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtd
legnfygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamk
ynyepltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdv
vrqcsgvtf

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

  • Chain 'B':
    Sequence, based on SEQRES records: (download) 
    >7lkuB (B:)
snigsgfrkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyed
llirksnhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvla
cyngspsgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtd
legnfygpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamk
ynyepltqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdv
vrqcsgvtf

    Sequence, based on observed residues (ATOM records): (download) 
    >7lkuB (B:)
frkmafpsgkvegcmvqvtcgtttlnglwlddvvycprhvictsedmlnpnyedllirks
nhnflvqagnvqlrvighsmqncvlklkvdtanpktpkykfvriqpgqtfsvlacyngsp
sgvyqcamrpnftikgsflngscgsvgfnidydcvsfcymhhmelptgvhagtdlegnfy
gpfvdrqtaqaagtdttitvnvlawlyaavingdrwflnrftttlndfnlvamkynyepl
tqdhvdilgplsaqtgiavldmcaslkellqngmngrtilgsalledeftpfdvvrqcs