Structure of PDB 5nfy Chain A Binding Site BS01

Receptor Information

>5nfy Chain A (length=512) Species: 229992 (SARS coronavirus Frankfurt 1)

NVTGLFKDCSKIITGLHPTQAPTHLSVDIKFKTEGLCVDIPGIPKDMTYR
RLISMMGFKMNYQVNGYPNMFITREEAIRHVRAWIGFDVEGCHATRDAVG
TNLPLQLGFSTGVNLVAVPTGYVDTENNTEFTRVNAKPPPGDQFKHLIPL
MYKGLPWNVVRIKIVQMLSDTLKGLSDRVVFVLWAHGFELTSMKYFVKIG
PERTCCLCDKRATCFSTSSDTYACWNHSVGFDYVYNPFMIDVQQWGFTGN
LQSNHDQHCQVHGNAHVASCDAIMTRCLAVHECFVKRVDWSVEYPIIGDE
LRVNSACRKVQHMVVKSALLADKFPVLHDIGNPKAIKCVPQAEVEWKFYD
AQPCSDKAYKIEELFYSYAIHHDKFTDGVCLFWNCNVDRYPANAIVCRFD
TRVLSNLNLPGCDGGSLYVNKHAFHTPAFDKSAFTNLKQLPFFYYSDSPC
EYVPLKSATCITRCNLGGAVCRHHANEYRQYLDAYNMMISAGFSLWIYKQ
FDTYNLWNTFTR

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: 5nfy Chain A Residue 601

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5nfy Structural and molecular basis of mismatch correction and ribavirin excision from coronavirus RNA.
• Resolution: 3.382 Å
• Binding residue (original residue number in PDB): C207 C226 H229
• Binding residue (residue number reindexed from 1): C205 C224 H227
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.1.1.57: methyltransferase cap1.
  3.4.19.12: ubiquitinyl hydrolase 1.
  3.6.4.12: DNA helicase.
  3.6.4.13: RNA helicase.

Gene Ontology

Molecular Function

• GO:0000175 3'-5'-RNA exonuclease activity
• GO:0004482 mRNA 5'-cap (guanine-N7-)-methyltransferase activity
• GO:0004532 RNA exonuclease activity
• GO:0008168 methyltransferase activity

External links

• PDB: RCSB:5nfy, PDBe:5nfy, PDBj:5nfy
• PDBsum: 5nfy
• PubMed: 29279395
• UniProt: Q1T6X8