Zinc in PDB 4jmy: Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide

All present enzymatic activity of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide:
3.4.21.98;

The structure of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide, PDB code: 4jmy was solved by C.T.Lemke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.24 / 1.95
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	94.123, 94.123, 83.236, 90.00, 90.00, 120.00
R / Rfree (%)	21.6 / 25.4

The structure of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide also contains other interesting chemical elements:

Sodium

(Na)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide (pdb code 4jmy). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide, PDB code: 4jmy:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn201 b:43.1 occ:1.00 O A:HOH301 2.3 27.3 1.0 SG A:CYS97 2.3 37.5 1.0 SG A:CYS145 2.4 37.2 1.0 SG A:CYS99 2.4 44.3 1.0 CB A:CYS145 3.1 29.8 1.0 CB A:CYS97 3.1 35.4 1.0 CB A:CYS99 3.3 43.3 1.0 N A:CYS99 3.6 47.4 1.0 O A:HOH355 3.7 45.2 1.0 CA A:CYS97 3.7 40.3 1.0 CA A:CYS99 4.0 48.4 1.0 N A:THR98 4.0 36.9 1.0 C A:CYS97 4.3 44.8 1.0 CB A:HIS149 4.5 38.1 1.0 N A:GLY100 4.5 48.1 1.0 CA A:CYS145 4.6 32.5 1.0 C A:CYS99 4.6 48.6 1.0 CB A:SER147 4.6 45.2 1.0 ND1 A:HIS149 4.6 51.0 1.0 C A:THR98 4.8 48.8 1.0 OG A:SER147 4.8 46.0 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Hcv NS3/NS4A Protease Complexed with Ddivpc Peptide within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn201 b:55.4 occ:1.00 SG B:CYS97 2.3 47.6 1.0 O B:HOH301 2.3 35.3 1.0 SG B:CYS145 2.4 44.8 1.0 SG B:CYS99 2.6 55.8 1.0 CB B:CYS145 3.0 41.5 1.0 CB B:CYS97 3.2 44.0 1.0 CB B:CYS99 3.4 52.9 1.0 N B:CYS99 3.7 57.9 1.0 CA B:CYS97 3.8 45.7 1.0 N B:THR98 3.9 51.8 1.0 CA B:CYS99 4.1 53.6 1.0 C B:CYS97 4.2 52.0 1.0 CB B:HIS149 4.5 48.8 1.0 CA B:CYS145 4.5 40.2 1.0 CB B:SER147 4.5 45.8 1.0 N B:GLY100 4.7 53.4 1.0 C B:CYS99 4.7 56.6 1.0 OG B:SER147 4.7 56.9 1.0 C B:THR98 4.7 61.9 1.0 ND1 B:HIS149 4.8 58.4 1.0 CA B:THR98 5.0 57.9 1.0

S.Laplante, C.T.Lemke. Importance of the Peptide Scaffold of Drugs That Target the Hepatitis C Virus NS3 Protease and Its Crucial Bioactive Conformation and Dynamic Factors. To Be Published.