Structure of PDB 6wuu Chain D Binding Site BS01

Receptor Information

>6wuu Chain D (length=318) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

EVRTIKVFTTVDNINLHTQVVDMSMTYGQQFGPTYLDGADVTKIKPHNSH
EGKTFYVLPNDDTLRVEAFEYYHTTDPSFLGRYMSALNHTKKWKYPQVNG
LTSIKWADNNCYLATALLTLQQIELKFNPPALQDAYYRARAGEAANFCAL
ILAYCNKTVGELGDVRETMSYLFQHANLDSCKRVLNVVCKTCGQQQTTLK
GVEAVMYMGTLSYEQFKKGVQIPCTCGKQATKYLVQQESPFVMMSAPPAQ
YELKHGTFTCASEYTGNYQCGHYKHITSKETLYCIDGALLTKSSEYKGPI
TDVFYKENSYTTTIKPLE

Ligand information

>6wuu Chain J (length=4) Species: 32630 (synthetic construct)

PAGE

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6wuu Activity profiling and crystal structures of inhibitor-bound SARS-CoV-2 papain-like protease: A framework for anti-COVID-19 drug design.
• Resolution: 2.79 Å
• Binding residue (original residue number in PDB): N109 C111 L162 G163 D164 M208 P247 P248 Y264 Y268 C270 G271 H272 Y273
• Binding residue (residue number reindexed from 1): N109 C111 L162 G163 D164 M208 P247 P248 Y264 Y268 C270 G271 H272 Y273

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:0008234 cysteine-type peptidase activity

Biological Process

• GO:0006508 proteolysis

External links

• PDB: RCSB:6wuu, PDBe:6wuu, PDBj:6wuu
• PDBsum: 6wuu
• PubMed: 33067239
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)