Chlorine in PDB 4v08: Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution

All present enzymatic activity of Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution:
3.4.21.97;

The structure of Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution, PDB code: 4v08 was solved by M.Zuehlsdorf, S.Werten, G.J.Palm, W.Hinrichs, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	62.85 / 2.03
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	52.062, 76.226, 111.055, 90.00, 90.00, 90.00
R / Rfree (%)	17 / 23.4

The structure of Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution also contains other interesting chemical elements:

Magnesium

(Mg)

1 atom

The binding sites of Chlorine atom in the Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution (pdb code 4v08). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution, PDB code: 4v08:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl302 b:31.0 occ:1.00 O A:HOH488 3.2 38.2 1.0 N A:ARG161 3.4 26.5 1.0 CB A:ARG161 3.5 34.1 1.0 O A:HOH412 3.9 60.0 1.0 N A:ALA160 3.9 25.7 1.0 CB A:SER159 4.0 27.3 1.0 CA A:ARG161 4.1 28.8 1.0 CB A:ALA160 4.2 26.6 1.0 C A:ALA160 4.4 26.0 1.0 CA A:ALA160 4.4 25.6 1.0 OG A:SER159 4.5 26.2 1.0 C A:SER159 4.6 24.2 1.0 CA A:SER159 4.7 25.7 1.0 CG A:ARG161 4.8 41.1 1.0

Chlorine binding site 2 out of 3 in the Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:31.8 occ:1.00 O A:HOH511 2.8 45.0 1.0 O B:HOH427 3.1 20.1 1.0 N B:ASP203 3.2 27.9 1.0 N A:TRP205 3.4 25.9 1.0 N A:ARG204 3.5 26.9 1.0 CA A:ASP203 3.7 30.4 1.0 C A:ASP203 3.7 28.0 1.0 CA B:ARG202 3.7 28.6 1.0 CD1 A:TRP205 3.7 27.4 1.0 CB A:TRP205 3.9 28.3 1.0 O A:HOH436 3.9 23.9 1.0 C B:ARG202 4.0 26.8 1.0 CG A:ARG204 4.0 27.8 1.0 CA B:ASP203 4.2 29.3 1.0 CG B:ARG202 4.2 33.5 1.0 CG A:TRP205 4.2 27.7 1.0 CA A:TRP205 4.2 28.9 1.0 O B:LEU201 4.3 25.9 1.0 N A:ASP203 4.3 29.1 1.0 CA A:ARG204 4.3 26.5 1.0 C A:ARG204 4.3 26.5 1.0 CB B:ARG202 4.3 30.8 1.0 O A:HOH464 4.4 47.4 1.0 O A:ASP203 4.5 27.2 1.0 CL B:CL302 4.5 27.8 1.0 OD1 B:ASP203 4.6 37.6 1.0 N A:GLU206 4.6 33.9 1.0 CB A:ARG204 4.7 27.1 1.0 O A:HOH516 4.8 44.3 1.0 N B:ARG202 4.8 27.6 1.0 CD B:ARG202 4.9 34.3 1.0 CB A:ASP203 4.9 32.6 1.0 NE1 A:TRP205 4.9 26.7 1.0 C A:TRP205 4.9 32.3 1.0 C B:LEU201 5.0 28.1 1.0

Chlorine binding site 3 out of 3 in the Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Inhibited Dimeric Pseudorabies Virus Protease PUL26N at 2 A Resolution within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl302 b:27.8 occ:1.00 O B:HOH507 2.7 41.3 1.0 N A:ASP203 3.2 29.1 1.0 O A:HOH436 3.3 23.9 1.0 N B:TRP205 3.4 23.7 1.0 N B:ARG204 3.5 24.1 1.0 C B:ASP203 3.7 25.5 1.0 CA A:ARG202 3.7 29.1 1.0 CA B:ASP203 3.8 29.3 1.0 CD1 B:TRP205 3.8 25.7 1.0 O B:HOH427 3.9 20.1 1.0 CB B:TRP205 3.9 23.5 1.0 C A:ARG202 4.0 28.7 1.0 O B:HOH531 4.0 43.3 1.0 CG B:ARG204 4.1 25.4 1.0 CG A:ARG202 4.1 33.2 1.0 CA A:ASP203 4.2 30.4 1.0 CA B:TRP205 4.2 23.8 1.0 CG B:TRP205 4.2 24.5 1.0 CB A:ARG202 4.3 30.8 1.0 O A:LEU201 4.3 26.7 1.0 C B:ARG204 4.3 22.9 1.0 N B:ASP203 4.3 27.9 1.0 CA B:ARG204 4.3 24.0 1.0 O B:ASP203 4.4 23.6 1.0 OD1 A:ASP203 4.5 36.6 1.0 CL A:CL303 4.5 31.8 1.0 N B:GLU206 4.7 25.3 1.0 CB B:ARG204 4.8 24.1 1.0 O B:HOH465 4.8 57.3 1.0 CD A:ARG202 4.8 35.4 1.0 CG A:ASP203 4.9 36.3 1.0 N A:ARG202 4.9 26.9 1.0 C B:TRP205 5.0 23.9 1.0

M.Zuehlsdorf, S.Werten, B.G.Klupp, G.J.Palm, T.Mettenleiter, W.Hinrichs. Dimerization-Induced Allosteric Changes of the Oxyanion-Hole Loop Activate the Pseudorabies Virus Assemblin PUL26N, A Herpesvirus Serine Protease Plos Pathog. V. 11 5045 2015.
ISSN: ISSN 1553-7366
PubMed: 26161660
DOI: 10.1371/JOURNAL.PPAT.1005045