PDBsum entry 3sv9

Viral protein, hydrolase/inhibitor

PDB id: 3sv9

Contents

Protein chain

199 a.a.

Ligands

SV6

GOL

SO4

Metals

_ZN

Waters ×135

PDB id:

3sv9

Name:

Viral protein, hydrolase/inhibitor

Title:

Crystal structure of ns3/4a protease variant a156t in complex with telaprevir

Structure:

Ns3 protease, ns4a protein. Chain: a. Fragment: ns4a (unp residues 1674-1688), ns3 (unp residues 1027- 1208). Engineered: yes. Mutation: yes

Source:

Hepatitis c virus. Organism_taxid: 31646. Strain: subtype 1a, bid-v318. Gene: ns3-ns4a. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

1.60Å R-factor: 0.173 R-free: 0.197

Authors:

C.A.Schiffer,K.P.Romano

Key ref:

K.P.Romano et al. (2012). The molecular basis of drug resistance against hepatitis C virus NS3/4A protease inhibitors. Plos Pathog, 8, e1002832. PubMed id: 22910833

Date:

12-Jul-11 Release date: 05-Sep-12

Protein chain

A8DG50  (A8DG50_9HEPC) -  Genome polyprotein from hepatitis C virus genotype 1a

Seq: 3011 a.a.

Struc: 199 a.a.*

* PDB and UniProt seqs differ at 30 residue positions (black crosses)

Enzyme reactions

• Enzyme class 1: E.C.3.4.21.98 - hepacivirin.
• Reaction: Hydrolysis of four peptide bonds in the viral precursor polyprotein, commonly with Asp or Glu in the P6 position, Cys or Thr in P1 and Ser or Ala in P1'.
• Enzyme class 2: E.C.3.6.1.15 - nucleoside-triphosphate phosphatase.
• Reaction: a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'-diphosphate + phosphate + H⁺
• Enzyme class 3: E.C.3.6.4.13 - Rna helicase.
• Reaction: ATP + H2O = ADP + 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

reference

Plos Pathog 8:e1002832 (2012)

PubMed id: 22910833

The molecular basis of drug resistance against hepatitis C virus NS3/4A protease inhibitors.

K.P.Romano, A.Ali, C.Aydin, D.Soumana, A.Ozen, L.M.Deveau, C.Silver, H.Cao, A.Newton, C.J.Petropoulos, W.Huang, C.A.Schiffer.

ABSTRACT

No abstract given.