Structure of PDB 4yoi Chain A

Receptor sequence

>4yoiA (length=306) Species: 694007 (Tylonycteris bat coronavirus HKU4)

SGLVKMSAPSGAVENCIVQVTCGSMTLNGLWLDNTVWCPRHIMCPADQLT
DPNYDALLISKTNHSFIVQKHIGAQANLRVVAHSMVGVLLKLTVDVANPS
TPAYTFSTVKPGASFSVLACYNGKPTGVFTVNLRHNSTIKGSFLCGSCGS
VGYTENGGVINFVYMHQMELSNGTHTGSSFDGVMYGAFEDKQTHQLQLTD
KYCTINVVAWLYAAVLNGCKWFVKPTRVGIVTYNEWALSNQFTEFVGTQS
IDMLAHRTGVSVEQMLAAIQSLHAGFQGKTILGQSTLEDEFTPDDVNMQV
MGVVMQ

3D structure

• PDB: 4yoi Targeting zoonotic viruses: Structure-based inhibition of the 3C-like protease from bat coronavirus HKU4-The likely reservoir host to the human coronavirus that causes Middle East Respiratory Syndrome (MERS).
• Chain: A
• Resolution: 1.82 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): H41 G146 C148
• Catalytic site (residue number reindexed from 1): H41 G146 C148
• 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.-
  3.6.4.12: DNA helicase.
  3.6.4.13: RNA helicase.
  4.6.1.-

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	4F4	A	S24 M25 H41 A46 L49 Y54 F143 L144 C145 C148 H166 M168 E169 D190 K191 Q192	S24 M25 H41 A46 L49 Y54 F143 L144 C145 C148 H166 M168 E169 D190 K191 Q192	MOAD: ic50=0.33uM PDBbind-CN: -logKd/Ki=6.48,IC50=0.33uM

Gene Ontology

Molecular Function

• GO:0008233 peptidase activity

Biological Process

• GO:0019082 viral protein processing

External links

• PDB: RCSB:4yoi, PDBe:4yoi, PDBj:4yoi
• PDBsum: 4yoi
• PubMed: 26190463
• UniProt: P0C6W3|R1AB_BCHK4 Replicase polyprotein 1ab (Gene Name=rep)