Chlorine in PDB 3owv: Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae

Protein crystallography data

The structure of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae, PDB code: 3owv was solved by A.F.Moon, M.Midon, G.Meiss, A.M.Pingoud, R.E.London, L.C.Pedersen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.97 / 1.75
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 67.963, 75.931, 90.784, 90.00, 90.00, 90.00
R / Rfree (%) 19.5 / 21.7

Other elements in 3owv:

The structure of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae also contains other interesting chemical elements:

Magnesium (Mg) 2 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae (pdb code 3owv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 5 binding sites of Chlorine where determined in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae, PDB code: 3owv:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5;

Chlorine binding site 1 out of 5 in 3owv

Go back to Chlorine Binding Sites List in 3owv
Chlorine binding site 1 out of 5 in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl400

b:37.1
occ:1.00
 OD2 A:ASP245 3.2 41.2 1.0
N A:ARG217 3.3 33.1 1.0
N A:ASP245 3.3 34.6 1.0
N A:SER244 3.4 31.2 1.0
CG A:ASP245 3.5 40.1 1.0
CB A:SER244 3.5 34.8 1.0
CB A:LYS216 3.7 37.4 1.0
CA A:LYS216 3.8 36.1 1.0
O A:ARG217 3.8 28.8 1.0
CA A:SER244 3.8 33.2 1.0
CB A:ASP245 3.9 37.2 1.0
C A:SER244 4.0 34.3 1.0
C A:LYS216 4.0 34.4 1.0
CB A:SER243 4.1 27.1 1.0
CG A:LYS216 4.1 39.4 1.0
OD1 A:ASP245 4.1 40.1 1.0
CA A:ASP245 4.2 35.7 1.0
CA A:ARG217 4.2 31.6 1.0
C A:SER243 4.3 28.4 1.0
CB A:ARG217 4.3 34.4 1.0
C A:ARG217 4.4 29.0 1.0
CD A:LYS216 4.6 41.2 1.0
CA A:SER243 4.6 26.9 1.0
OG A:SER244 4.7 39.5 1.0
OG A:SER243 4.7 27.0 1.0
CG A:ARG217 4.9 36.9 1.0

Chlorine binding site 2 out of 5 in 3owv

Go back to Chlorine Binding Sites List in 3owv
Chlorine binding site 2 out of 5 in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl401

b:29.9
occ:1.00
 O A:HOH571 2.7 41.3 1.0
O A:HOH370 3.1 34.6 1.0
O A:HOH298 3.1 15.7 1.0
N A:TYR164 3.1 23.8 1.0
O A:HOH299 3.4 16.7 1.0
O A:HOH323 3.6 18.2 1.0
O A:HOH596 3.6 39.6 1.0
CA A:GLY163 3.6 18.7 1.0
CB A:TYR164 3.8 30.2 1.0
C A:GLY163 3.9 21.9 1.0
CA A:TYR164 4.1 26.7 1.0
CB A:ALA160 4.1 18.0 1.0
MG A:MG300 4.1 16.8 1.0
O A:HOH317 4.2 23.8 1.0
O A:HOH435 4.2 29.1 1.0
O A:HOH301 4.8 22.9 1.0
O A:HOH412 4.8 31.5 1.0
N A:GLY163 4.8 18.9 1.0

Chlorine binding site 3 out of 5 in 3owv

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Chlorine binding site 3 out of 5 in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl400

b:28.2
occ:1.00
 O B:HOH551 3.2 33.8 1.0
N B:ASP245 3.2 27.3 1.0
N B:ARG217 3.4 23.8 1.0
N B:SER244 3.4 23.2 1.0
CB B:LYS216 3.4 26.6 1.0
CB B:SER244 3.5 27.3 1.0
CG B:ASP245 3.5 29.6 1.0
OD2 B:ASP245 3.5 29.9 1.0
CA B:LYS216 3.6 27.4 1.0
CG B:LYS216 3.8 29.6 1.0
CA B:SER244 3.8 24.8 1.0
O B:ARG217 3.9 21.4 1.0
CB B:ASP245 3.9 28.4 1.0
OD1 B:ASP245 3.9 28.1 1.0
C B:SER244 4.0 26.5 1.0
CB B:SER243 4.0 19.1 1.0
C B:LYS216 4.0 25.4 1.0
CA B:ASP245 4.2 28.4 1.0
C B:SER243 4.2 20.4 1.0
CD B:LYS216 4.3 29.8 1.0
CA B:ARG217 4.4 23.5 1.0
OG B:SER243 4.5 19.8 1.0
CA B:SER243 4.5 20.8 1.0
OG B:SER244 4.5 31.4 1.0
C B:ARG217 4.6 21.6 1.0
CB B:ARG217 4.7 24.0 1.0
N B:LYS216 4.9 28.5 1.0

Chlorine binding site 4 out of 5 in 3owv

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Chlorine binding site 4 out of 5 in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl401

b:37.1
occ:1.00
 O B:HOH544 3.0 14.2 1.0
O B:HOH546 3.0 40.7 1.0
N B:TYR164 3.3 24.3 1.0
O B:HOH332 3.4 13.3 1.0
O B:HOH449 3.6 38.1 1.0
O B:HOH292 3.6 18.0 1.0
CA B:GLY163 3.7 20.2 1.0
CB B:TYR164 3.9 31.3 1.0
C B:GLY163 4.0 22.8 1.0
MG B:MG300 4.1 18.9 1.0
O B:HOH343 4.1 28.2 1.0
CB B:ALA160 4.1 15.1 1.0
CA B:TYR164 4.2 26.5 1.0
O B:HOH547 4.5 29.9 1.0
O B:HOH570 4.6 42.6 1.0
O B:HOH288 4.8 27.8 1.0
N B:GLY163 4.9 18.0 1.0

Chlorine binding site 5 out of 5 in 3owv

Go back to Chlorine Binding Sites List in 3owv
Chlorine binding site 5 out of 5 in the Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl402

b:31.4
occ:1.00
 O B:HOH313 3.1 22.9 1.0
N B:SER50 3.1 20.2 1.0
OG B:SER50 3.4 22.4 1.0
CB B:SER50 3.6 22.3 1.0
CD2 B:LEU53 3.7 18.1 1.0
CG B:LYS259 3.8 24.0 1.0
CB B:LEU53 3.9 19.0 1.0
CA B:SER50 4.0 21.9 1.0
CA B:PRO49 4.0 19.2 1.0
CB B:LYS259 4.0 19.9 1.0
CA B:LYS259 4.0 18.3 1.0
C B:PRO49 4.0 19.3 1.0
CG B:LEU53 4.4 18.3 1.0
CD B:LYS259 4.6 28.9 1.0
CB B:PRO49 4.6 20.1 1.0
O B:HOH281 4.8 46.9 1.0
O B:ALA48 4.8 20.6 1.0
N B:GLY260 4.9 18.9 1.0
N B:LYS259 4.9 15.9 1.0
C B:LYS259 5.0 17.4 1.0

Reference:

A.F.Moon, M.Midon, G.Meiss, A.Pingoud, R.E.London, L.C.Pedersen. Structural Insights Into Catalytic and Substrate Binding Mechanisms of the Strategic Enda Nuclease From Streptococcus Pneumoniae. Nucleic Acids Res. V. 39 2943 2011.
ISSN: ISSN 0305-1048
PubMed: 21113026
DOI: 10.1093/NAR/GKQ1152
Page generated: Sat Dec 12 10:01:08 2020

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