Structure of PDB 6xbi Chain B Binding Site BS01

Receptor Information

>6xbi Chain B (length=304) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

HMSGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSED
MLNPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKT
PKYKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSV
GFNIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDT
TITVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVD
ILGPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVR
QCSG

Ligand information

>6xbi Chain E (length=2) Species: 32630 (synthetic construct)

LL

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6xbi Structure and inhibition of the SARS-CoV-2 main protease reveal strategy for developing dual inhibitors against M pro and cathepsin L.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): H41 M165 E166 P168 D187 Q189 T190 A191 Q192
• Binding residue (residue number reindexed from 1): H43 M167 E168 P170 D189 Q191 T192 A193 Q194

Enzymatic activity

• Enzyme Commision number: 2.1.1.56: mRNA (guanine-N(7))-methyltransferase.
  2.1.1.57: methyltransferase cap1.
  2.7.7.48: RNA-directed RNA polymerase.
  2.7.7.50: mRNA guanylyltransferase.
  3.1.13.-
  3.4.19.12: ubiquitinyl hydrolase 1.
  3.4.22.-
  3.4.22.69: SARS coronavirus main proteinase.
  3.6.4.12: DNA helicase.
  3.6.4.13: RNA helicase.
  4.6.1.-

Gene Ontology

Molecular Function

• GO:0008233 peptidase activity

Biological Process

• GO:0019082 viral protein processing

External links

• PDB: RCSB:6xbi, PDBe:6xbi, PDBj:6xbi
• PDBsum: 6xbi
• PubMed: 33158912
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)