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Chlorine in PDB 4v07: Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution

Enzymatic activity of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution

All present enzymatic activity of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution:
3.4.21.97;

Protein crystallography data

The structure of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution, PDB code: 4v07 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) 62.66 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.375, 75.986, 110.758, 90.00, 90.00, 90.00
R / Rfree (%) 17.788 / 23.732

Other elements in 4v07:

The structure of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution (pdb code 4v07). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 7 binding sites of Chlorine where determined in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution, PDB code: 4v07:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6; 7;

Chlorine binding site 1 out of 7 in 4v07

Go back to Chlorine Binding Sites List in 4v07
Chlorine binding site 1 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1219

b:46.8
occ:1.00
 O A:HOH2040 3.0 45.9 1.0
N A:ARG161 3.4 39.6 1.0
CB A:ARG161 3.5 45.5 1.0
N A:ALA160 3.7 39.0 1.0
CB A:SER159 3.9 39.4 1.0
CA A:ARG161 4.1 42.7 1.0
CB A:ALA160 4.1 40.2 1.0
CA A:ALA160 4.3 39.1 1.0
C A:ALA160 4.3 40.3 1.0
OG A:SER159 4.4 41.1 1.0
C A:SER159 4.4 38.2 1.0
CA A:SER159 4.6 39.4 1.0
CG A:ARG161 4.7 50.8 1.0
CD A:ARG161 4.9 56.5 1.0

Chlorine binding site 2 out of 7 in 4v07

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Chlorine binding site 2 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1220

b:42.7
occ:1.00
 O A:HOH2059 2.9 55.5 1.0
O B:HOH2063 3.1 35.4 1.0
N A:TRP205 3.2 36.4 1.0
N B:ASP203 3.3 43.0 1.0
N A:ARG204 3.5 38.5 1.0
C A:ASP203 3.6 41.6 1.0
CA A:ASP203 3.7 43.2 1.0
CB A:TRP205 3.9 36.6 1.0
O A:HOH2051 3.9 36.7 1.0
CA B:ARG202 3.9 45.5 1.0
CD1 A:TRP205 3.9 36.7 1.0
CA A:TRP205 4.0 37.1 1.0
CG A:ARG204 4.1 36.8 1.0
C B:ARG202 4.1 43.7 1.0
CA B:ASP203 4.2 42.6 1.0
C A:ARG204 4.2 37.6 1.0
CG A:TRP205 4.3 35.7 1.0
CA A:ARG204 4.3 38.8 1.0
N A:ASP203 4.3 42.4 1.0
CG B:ARG202 4.3 53.9 1.0
OD1 B:ASP203 4.3 54.5 1.0
O A:ASP203 4.3 38.9 1.0
N A:GLU206 4.4 45.0 1.0
O A:HOH2053 4.4 52.3 1.0
O B:LEU201 4.4 40.2 1.0
CB B:ARG202 4.4 48.7 1.0
CL B:CL1225 4.6 39.8 1.0
C A:TRP205 4.7 40.9 1.0
CB A:ARG204 4.8 36.6 1.0
CG B:ASP203 4.8 49.0 1.0
CB A:ASP203 4.9 46.7 1.0

Chlorine binding site 3 out of 7 in 4v07

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Chlorine binding site 3 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1221

b:59.0
occ:1.00
 OG A:SER109 2.9 49.0 1.0
O A:HOH2029 2.9 42.9 1.0
N A:ARG136 3.3 51.8 1.0
CB A:ARG136 3.6 59.2 1.0
CB A:SER109 3.6 41.5 1.0
CA A:ARG136 3.9 54.6 1.0
CG A:ARG136 4.0 60.3 1.0
CD A:ARG136 4.1 64.6 1.0
C A:GLY135 4.2 54.7 1.0
N A:ARG137 4.2 55.4 1.0
CA A:SER109 4.2 40.8 1.0
CA A:GLY135 4.2 53.5 1.0
O A:HOH2004 4.5 40.9 1.0
C A:ARG136 4.5 56.5 1.0
CG A:ARG137 4.6 59.1 1.0
NH1 A:ARG137 4.8 58.0 1.0

Chlorine binding site 4 out of 7 in 4v07

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Chlorine binding site 4 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1222

b:65.1
occ:1.00
 CD A:ARG169 3.4 61.9 1.0
N A:VAL55 3.6 38.5 1.0
CA A:ALA54 3.7 39.3 1.0
CD A:PRO33 3.7 66.5 1.0
O A:VAL55 3.8 48.1 1.0
CB A:PRO32 4.0 66.1 1.0
CG A:ARG169 4.1 57.7 1.0
C A:ALA54 4.2 37.3 1.0
CB A:ALA54 4.2 42.1 1.0
NE A:ARG169 4.5 59.1 1.0
O A:LEU53 4.6 43.3 1.0
CA A:PRO32 4.6 67.7 1.0
CG A:PRO33 4.6 62.8 1.0
CA A:VAL55 4.6 40.1 1.0
C A:VAL55 4.6 43.2 1.0
N A:ALA54 4.8 39.3 1.0
N A:PRO33 4.8 66.7 1.0
CB A:VAL55 4.9 43.2 1.0

Chlorine binding site 5 out of 7 in 4v07

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Chlorine binding site 5 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1225

b:39.8
occ:1.00
 O A:HOH2054 3.0 58.3 1.0
N A:ASP203 3.1 42.4 1.0
O A:HOH2051 3.2 36.7 1.0
N B:TRP205 3.3 37.3 1.0
N B:ARG204 3.5 38.0 1.0
C B:ASP203 3.7 39.1 1.0
CA B:ASP203 3.7 42.6 1.0
CA A:ARG202 3.8 42.4 1.0
CB B:TRP205 3.8 40.3 1.0
CD1 B:TRP205 3.9 38.9 1.0
C A:ARG202 3.9 41.5 1.0
O B:HOH2063 4.0 35.4 1.0
CA A:ASP203 4.1 43.2 1.0
CA B:TRP205 4.1 39.5 1.0
CG A:ARG202 4.1 49.8 1.0
CG B:TRP205 4.2 39.2 1.0
C B:ARG204 4.3 37.0 1.0
CG B:ARG204 4.3 40.2 1.0
CA B:ARG204 4.3 37.0 1.0
CB A:ARG202 4.3 45.0 1.0
N B:ASP203 4.4 43.0 1.0
N B:GLU206 4.4 41.3 1.0
O B:ASP203 4.4 37.5 1.0
O A:LEU201 4.5 41.1 1.0
O A:HOH2055 4.5 56.7 1.0
OD1 A:ASP203 4.6 52.4 1.0
CL A:CL1220 4.6 42.7 1.0
C B:TRP205 4.8 41.7 1.0
CB B:ARG204 4.8 36.7 1.0
CD A:ARG202 4.8 54.6 1.0
CB B:ASP203 4.9 44.9 1.0
CG A:ASP203 4.9 49.8 1.0
N A:ARG202 5.0 40.4 1.0

Chlorine binding site 6 out of 7 in 4v07

Go back to Chlorine Binding Sites List in 4v07
Chlorine binding site 6 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1226

b:50.0
occ:1.00
 N B:ARG136 2.8 41.6 1.0
O B:HOH2040 3.0 38.4 1.0
OG B:SER109 3.1 41.9 1.0
CB B:ARG136 3.4 42.4 1.0
CB B:SER109 3.5 35.5 1.0
CA B:ARG136 3.6 44.6 1.0
C B:GLY135 3.7 45.4 1.0
CA B:GLY135 3.8 40.9 1.0
N B:ARG137 4.0 45.8 1.0
CA B:SER109 4.2 35.5 1.0
O B:HOH2004 4.3 28.9 1.0
C B:ARG136 4.3 50.2 1.0
CG B:ARG137 4.7 42.1 1.0
O B:GLY135 4.9 52.8 1.0

Chlorine binding site 7 out of 7 in 4v07

Go back to Chlorine Binding Sites List in 4v07
Chlorine binding site 7 out of 7 in the Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 7 of Dimeric Pseudorabies Virus Protease PUL26N at 2.1 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1227

b:58.7
occ:1.00
 N B:VAL55 3.1 41.3 1.0
NH1 B:ARG169 3.3 82.1 1.0
CA B:ALA54 3.5 38.8 1.0
CD B:PRO33 3.6 60.6 1.0
C B:ALA54 3.8 40.6 1.0
O B:VAL55 3.9 49.3 1.0
CA B:VAL55 4.2 42.8 1.0
CB B:ALA54 4.3 43.1 1.0
CG B:PRO33 4.4 59.6 1.0
CZ B:ARG169 4.4 81.5 1.0
CB B:VAL55 4.5 45.1 1.0
CB B:PRO32 4.5 57.4 1.0
O B:LEU53 4.5 43.5 1.0
N B:ALA54 4.5 35.9 1.0
C B:VAL55 4.5 46.6 1.0
CG2 B:VAL55 4.6 44.9 1.0
O B:HOH2014 4.8 49.4 1.0
N B:PRO33 4.9 62.4 1.0
CD B:ARG169 4.9 71.4 1.0
C B:LEU53 4.9 38.7 1.0
CA B:PRO32 5.0 57.8 1.0
O B:ALA54 5.0 37.2 1.0

Reference:

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
Page generated: Fri Jul 26 02:37:46 2024

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