PDBsum entry 4a92

Hydrolase

PDB id: 4a92

Contents

Protein chains

639 a.a.

Ligands

F9K ×2

Metals

_ZN ×2

Waters ×202

PDB id:

4a92

Name:

Hydrolase

Title:

Full-length hcv ns3-4a protease-helicase in complex with a macrocyclic protease inhibitor.

Structure:

Serine protease ns3. Chain: a, b. Fragment: protease/helicase. Synonym: ns3-4a, hepacivirin, ns3p, p70. Engineered: yes. Mutation: yes. Other_details: macrocyclic acylsulfonamide protease inhibitor

Source:

Hepatitis c virus. Hcv. Organism_taxid: 11103. Strain: 1b. Variant: bk. Expressed in: escherichia coli. Expression_system_taxid: 469008.

Resolution:

2.73Å R-factor: 0.181 R-free: 0.231

Authors:

N.Schiering,A.D'Arcy,O.Simic,J.Eder,P.Raman,D.I.Svergun,U.Bodendorf

Key ref:

N.Schiering et al. (2011). A macrocyclic HCV NS3/4A protease inhibitor interacts with protease and helicase residues in the complex with its full-length target. Proc Natl Acad Sci U S A, 108, 21052-21056. PubMed id: 22160684

Date:

23-Nov-11 Release date: 28-Dec-11

Protein chains

P26663  (POLG_HCVBK) -  Genome polyprotein from Hepatitis C virus genotype 1b (isolate BK)

Seq: 3010 a.a.

Struc: 639 a.a.*

* PDB and UniProt seqs differ at 18 residue positions (black crosses)

Enzyme reactions

• Enzyme class 1: E.C.2.7.7.48 - RNA-directed Rna polymerase.
• Reaction: RNA(n) + a ribonucleoside 5'-triphosphate = RNA(n+1) + diphosphate
• Enzyme class 2: 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 3: E.C.3.4.22.- - ?????
• Enzyme class 4: E.C.3.6.1.15 - nucleoside-triphosphate phosphatase.
• Reaction: a ribonucleoside 5'-triphosphate + H2O = a ribonucleoside 5'-diphosphate + phosphate + H⁺
• Enzyme class 5: 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

Proc Natl Acad Sci U S A 108:21052-21056 (2011)

PubMed id: 22160684

A macrocyclic HCV NS3/4A protease inhibitor interacts with protease and helicase residues in the complex with its full-length target.

N.Schiering, A.D'Arcy, F.Villard, O.Simic, M.Kamke, G.Monnet, U.Hassiepen, D.I.Svergun, R.Pulfer, J.Eder, P.Raman, U.Bodendorf.

ABSTRACT

No abstract given.