PDBsum entry 3e9s

Hydrolase

PDB id: 3e9s

Contents

Protein chain

317 a.a. *

Ligands

TTT

Metals

_CL ×2

_ZN

Waters ×93

* Residue conservation analysis

PDB id:

3e9s

Name:

Hydrolase

Title:

A new class of papain-like protease/deubiquitinase inhibitors blocks sars virus replication

Structure:

Non-structural protein 3. Chain: a. Fragment: unp residues 1541-1855. Synonym: nsp3, papain-like proteinase, pl-pro, pl2-pro. Engineered: yes

Source:

Sars coronavirus. Sars-cov. Organism_taxid: 227859. Gene: 1a. Expressed in: escherichia coli. Expression_system_taxid: 562

Resolution:

2.50Å R-factor: 0.196 R-free: 0.261

Authors:

A.D.Mesecar,K.Ratia,S.Pegan

Key ref:

A.D.Mesecar et al. A new class of papain-Like protease/deubiquitinase inhibitors blocks sars virus replication. To be published, .

Date:

23-Aug-08 Release date: 07-Oct-08

Protein chain

P0C6U8  (R1A_CVHSA) -  Replicase polyprotein 1a from Severe acute respiratory syndrome coronavirus

Seq: 4382 a.a.

Struc: 317 a.a.*

* PDB and UniProt seqs differ at 4 residue positions (black crosses)

Enzyme reactions

• Enzyme class 1: 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 2: 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 3: E.C.3.4.22.- - ?????
• Enzyme class 4: E.C.3.4.22.69 - Sars coronavirus main proteinase.

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