PDBsum entry 7d3c

Viral protein

PDB id: 7d3c

Contents

Protein chains

299 a.a.

Ligands

02J-ALA-VAL-LEU-PJE-010 ×2

Waters ×255

PDB id:

7d3c

Name:

Viral protein

Title:

The newly emerged sars-like coronavirus hcov-emc also has an "achilles' heel": current effective inhibitor targeting a 3c-like protease

Structure:

3c-like proteinase. Chain: b, a. Synonym: nsp5, growth factor-like peptide,leader protein,non- structural protein 10,non-structural protein 2,non-structural protein 3,non-structural protein 4,non-structural protein 6,non-structural protein 7,non-structural protein 8,non-structural protein 9,papain- like proteinase,p65 homolog. Engineered: yes. N-[(5-methylisoxazol-3-yl)carbonyl]alanyl-l-valyl-n~1~-

Source:

Middle east respiratory syndrome-related coronavirus. Mers-cov. Organism_taxid: 1335626. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008. Synthetic: yes. Synthetic construct. Organism_taxid: 32630

Resolution:

2.20Å R-factor: 0.224 R-free: 0.278

Authors:

L.Yan,Z.Ren

Key ref:

Z.Ren et al. (2013). The newly emerged sars-Like coronavirus hcov-Emc also "achilles' Heel": current effective inhibitor targeti 3c-Like protease. Protein cell, 4, 248. PubMed id: 23549610

Date:

18-Sep-20 Release date: 03-Nov-21

Protein chains

K9N7C7  (R1AB_CVEMC) -  Replicase polyprotein 1ab from Middle East respiratory syndrome-related coronavirus (isolate United Kingdom/H123990006/2012)

Seq: 7078 a.a.

Struc: 299 a.a.*

* PDB and UniProt seqs differ at 1 residue position (black cross)

Enzyme reactions

• Enzyme class 2: E.C.2.1.1.56 - mRNA (guanine-N(7))-methyltransferase.
• Reaction: a 5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L- methionine = a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L-homocysteine
• Enzyme class 3: E.C.2.1.1.57 - methyltransferase cap1.
• Reaction: a 5'-end (N(7)-methyl 5'-triphosphoguanosine)-ribonucleoside in mRNA + S-adenosyl-L-methionine = a 5'-end (N(7)-methyl 5'-triphosphoguanosine)- (2'-O-methyl-ribonucleoside) in mRNA + S-adenosyl-L-homocysteine + H⁺
• Enzyme class 4: E.C.2.7.7.48 - RNA-directed Rna polymerase.
• Reaction: RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate
• Enzyme class 5: E.C.2.7.7.50 - mRNA guanylyltransferase.
• Reaction: a 5'-end diphospho-ribonucleoside in mRNA + GTP + H⁺ = a 5'-end (5'-triphosphoguanosine)-ribonucleoside in mRNA + diphosphate
• Enzyme class 6: E.C.3.1.13.- - ?????
• Enzyme class 7: E.C.3.4.19.12 - ubiquitinyl hydrolase 1.
• Reaction: Thiol-dependent hydrolysis of ester, thiolester, amide, peptide and isopeptide bonds formed by the C-terminal Gly of ubiquitin (a 76-residue protein attached to proteins as an intracellular targeting signal).
• Enzyme class 8: E.C.3.4.22.- - ?????
• Enzyme class 9: E.C.3.6.4.12 - Dna helicase.
• Reaction: ATP + H2O = ADP + phosphate + H⁺
• Enzyme class 10: E.C.3.6.4.13 - Rna helicase.
• Reaction: ATP + H2O = ADP + phosphate + H⁺
• Enzyme class 11: E.C.4.6.1.- - ?????

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