Structure of PDB 7tc4 Chain B Binding Site BS01

Receptor Information

>7tc4 Chain B (length=305) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDML
NPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPK
YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSAGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTI
TVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL
GPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
SGVTF

Ligand information

>7tc4 Chain D (length=9) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

FYPKLQSSQ

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tc4 Defining the substrate envelope of SARS-CoV-2 main protease to predict and avoid drug resistance.
• Resolution: 1.94 Å
• Binding residue (original residue number in PDB): T24 T25 T26 H41 S46 M49 F140 N142 G143 A145 H163 M165 E166 P168 D187 Q189 T190 A191
• Binding residue (residue number reindexed from 1): T24 T25 T26 H41 S46 M49 F140 N142 G143 A145 H163 M165 E166 P168 D187 Q189 T190 A191

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:7tc4, PDBe:7tc4, PDBj:7tc4
• PDBsum: 7tc4
• PubMed: 35729165
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)