Structure of PDB 4yoi Chain B

Receptor sequence

>4yoiB (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: B
• 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	B	M25 H41 A46 L49 F143 L144 C148 H166 M168 E169 D190 K191 Q192	M25 H41 A46 L49 F143 L144 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)