PDBsum entry 6c2n

Hydrolase

PDB id: 6c2n

Contents

Protein chain

198 a.a.

Ligands

SO4

TSV

Metals

_ZN

Waters ×198

PDB id:

6c2n

Name:

Hydrolase

Title:

Crystal structure of hcv ns3/4a double mutant variant y56h/d168a in complex with danoprevir

Structure:

Ns4a cofactor-ns3 protein chimera. Chain: a. Engineered: yes

Source:

Hepatitis c virus subtype 1a. Organism_taxid: 31646. Expressed in: escherichia coli bl21(de3). Expression_system_taxid: 469008.

Resolution:

1.80Å R-factor: 0.164 R-free: 0.190

Authors:

A.N.Matthew,C.A.Schiffer

Key ref:

A.N.Matthew and c.a.schiffer Clinical signature variant of hcv ns3/4a protease use novel mechanism to confer resistance. To be published, .

Date:

08-Jan-18 Release date: 16-Jan-19

Protein chain

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

Seq: 3011 a.a.

Struc: 198 a.a.*

* PDB and UniProt seqs differ at 31 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