PDBsum entry 7l8h

Hydrolase/inhibitor

PDB id: 7l8h

Contents

Protein chains

185 a.a.

Ligands

AG7 ×2

Waters ×281

PDB id:

7l8h

Name:

Hydrolase/inhibitor

Title:

Ev68 3c protease (3cpro) in complex with rupintrivir

Structure:

3c protease. Chain: a, b. Synonym: peptidase c3. Engineered: yes

Source:

Human enterovirus d68. Ev68. Organism_taxid: 42789. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

1.95Å R-factor: 0.181 R-free: 0.186

Authors:

G.J.Lockbaum,M.Henes,J.M.Lee,J.Timm,E.A.Nalivaika,N.K.Yilmaz, P.R.Thompson,C.A.Schiffer

Key ref:

G.J.Lockbaum et al. Pan-3c protease inhibitor rupintrivir binds sars-Cov- Protease in a unique binding mode.. Biochemistry, . PubMed id: 34506130

Date:

31-Dec-20 Release date: 22-Sep-21

Protein chains

A0A097BW12  (A0A097BW12_HED68) -  Genome polyprotein from Human enterovirus D68

Seq: 2188 a.a.

Struc: 185 a.a.*

* PDB and UniProt seqs differ at 5 residue positions (black crosses)

Enzyme reactions

• Enzyme class 2: E.C.2.7.7.48 - RNA-directed Rna polymerase.
• Reaction: RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate
• Enzyme class 3: E.C.3.4.22.28 - picornain 3C.
• Reaction: Selective cleavage of Gln-|-Gly bond in the poliovirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
• Enzyme class 4: E.C.3.4.22.29 - picornain 2A.
• Reaction: Selective cleavage of Tyr-|-Gly bond in the picornavirus polyprotein. In other picornavirus reactions Glu may be substituted for Gln, and Ser or Thr for Gly.
• Enzyme class 5: E.C.3.6.1.15 - nucleoside-triphosphate phosphatase.
• Reaction: a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'-diphosphate + phosphate + H⁺

Note, where more than one E.C. class is given (as above), each may correspond to a different protein domain or, in the case of polyprotein precursors, to a different mature protein.

Molecule diagrams generated from .mol files obtained from the KEGG ftp site