Structure of PDB 7r1u Chain B Binding Site BS01

Receptor Information

>7r1u Chain B (length=113) Species: 2697049 (Severe acute respiratory syndrome coronavirus 2)

AFAVDAAKAYKDYLASGGQPITNCVKMLCTHTGTGQAITVTPEANMDQES
FGGASCCLYCRCHIDHPNPKGFCDLKGKYVQIPTTCANDPVGFTLKNTVC
TVCGMWKGYGCSC

Ligand information

• Ligand ID: ZN
• InChI: InChI=1S/Zn/q+2
• InChIKey: PTFCDOFLOPIGGS-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Zn++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Zn+2]
• Formula: Zn
• Name: ZINC ION
• ChEMBL: CHEMBL1236970
• DrugBank: DB14532
• PDB chain: 7r1u Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7r1u Crystal structure of SARS-CoV-2 nsp10-nsp16 in complex with small molecule inhibitors, SS148 and WZ16.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): C74 H83 C90
• Binding residue (residue number reindexed from 1): C57 H66 C73
• 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:0003723 RNA binding
• GO:0008270 zinc ion binding

Biological Process

• GO:0019079 viral genome replication

External links

• PDB: RCSB:7r1u, PDBe:7r1u, PDBj:7r1u
• PDBsum: 7r1u
• PubMed: 36040262
• UniProt: P0DTD1|R1AB_SARS2 Replicase polyprotein 1ab (Gene Name=rep)