Structure of PDB 7e6k Chain A Binding Site BS03

Receptor Information

>7e6k Chain A (length=305) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

SGFRKMAFPSGKVEGCMVQVTCGTTTLNGLWLDDVVYCPRHVICTSEDML
NPNYEDLLIRKSNHNFLVQAGNVQLRVIGHSMQNCVLKLKVDTANPKTPK
YKFVRIQPGQTFSVLACYNGSPSGVYQCAMRPNFTIKGSFLNGSCGSVGF
NIDYDCVSFCYMHHMELPTGVHAGTDLEGNFYGPFVDRQTAQAAGTDTTI
TVNVLAWLYAAVINGDRWFLNRFTTTLNDFNLVAMKYNYEPLTQDHVDIL
GPLSAQTGIAVLDMCASLKELLQNGMNGRTILGSALLEDEFTPFDVVRQC
SGVTF

Ligand information

• Ligand ID: HYR
• InChI: InChI=1S/C9H11NOS/c12-8-10-6-7-11-9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,10,12)
• InChIKey: GZNWNJDVFSIFLF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: S=CNCCOc1ccccc1
  OpenEye OEToolkits 2.0.7: c1ccc(cc1)OCCNC=S
• Formula: C9 H11 N O S
• Name: N-(2-phenoxyethyl)methanethioamide
• PDB chain: 7e6k Chain A Residue 403

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7e6k Viral protease
• Resolution: 1.6 Å
• Binding residue (original residue number in PDB): K100 Y101 C156
• Binding residue (residue number reindexed from 1): K100 Y101 C156
• Annotation score: 1

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:7e6k, PDBe:7e6k, PDBj:7e6k
• PDBsum: 7e6k
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)