Chlorine in PDB 4a25: X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.

The structure of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions., PDB code: 4a25 was solved by A.Ilari, A.Fiorillo, M.Ardini, S.Stefanini, E.Chiancone, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	75.24 / 2.00
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	150.474, 150.474, 86.618, 90.00, 90.00, 120.00
R / Rfree (%)	19.42 / 23.226

The structure of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. also contains other interesting chemical elements:

Manganese

(Mn)

10 atoms

The binding sites of Chlorine atom in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. (pdb code 4a25). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 6 binding sites of Chlorine where determined in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions., PDB code: 4a25:
Jump to Chlorine binding site number: 1; 2; 3; 4; 5; 6;

Chlorine binding site 1 out of 6 in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1173 b:24.1 occ:1.00 NH1 A:ARG71 3.2 20.9 1.0 NZ A:LYS45 3.3 19.5 1.0 CE A:LYS45 3.4 23.0 1.0 O B:ARG71 3.6 21.1 1.0 O A:HOH2042 3.7 20.8 1.0 C B:ARG71 3.9 21.1 1.0 O B:HOH2028 4.1 23.8 1.0 CB B:ARG71 4.1 20.4 1.0 CB B:ASP75 4.1 23.2 1.0 CZ A:ARG71 4.1 22.4 1.0 NH2 A:ARG71 4.1 21.0 1.0 N B:GLY72 4.2 20.2 1.0 CA B:GLY72 4.3 20.0 1.0 CA B:ARG71 4.5 21.0 1.0 CG B:ASP75 4.7 24.9 1.0 O A:HOH2023 4.7 13.2 1.0 OD1 B:ASP75 4.8 24.6 1.0 O A:HOH2041 4.9 28.6 1.0 CD A:LYS45 4.9 22.0 1.0

Chlorine binding site 2 out of 6 in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1174 b:28.0 occ:0.33 O A:HOH2030 2.6 3.8 0.3 NH1 A:ARG57 3.2 26.3 1.0 CD1 A:LEU61 4.1 22.1 1.0 CZ A:ARG57 4.3 27.1 1.0 OD1 A:ASP58 4.3 27.0 1.0 NH2 A:ARG57 4.5 27.1 1.0

Chlorine binding site 3 out of 6 in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1173 b:24.1 occ:1.00 NH1 B:ARG71 3.1 22.4 1.0 O A:ARG71 3.5 18.6 1.0 CE B:LYS45 3.5 21.7 1.0 NZ B:LYS45 3.6 19.9 1.0 O A:HOH2040 3.6 22.4 1.0 C A:ARG71 3.8 19.0 1.0 O A:HOH2037 3.9 24.4 1.0 CZ B:ARG71 4.0 22.4 1.0 NH2 B:ARG71 4.0 21.3 1.0 CB A:ARG71 4.1 19.9 1.0 N A:GLY72 4.1 18.5 1.0 CB A:ASP75 4.1 19.2 1.0 CA A:GLY72 4.2 18.3 1.0 CA A:ARG71 4.5 19.9 1.0 CG A:ASP75 4.7 20.3 1.0 CD B:LYS45 5.0 21.3 1.0 OD1 A:ASP75 5.0 19.4 1.0 CG A:ARG71 5.0 21.1 1.0

Chlorine binding site 4 out of 6 in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1174 b:16.1 occ:1.00 O B:HOH2020 2.6 7.3 1.0 NH1 B:ARG57 3.2 18.5 1.0 NH1 C:ARG57 3.2 18.5 1.0 O B:HOH2021 3.3 22.8 1.0 O C:HOH2030 3.5 25.4 1.0 CD1 C:LEU61 3.9 18.4 1.0 CD1 B:LEU61 3.9 17.7 1.0 OD1 C:ASP58 4.2 21.9 1.0 CZ C:ARG57 4.2 20.9 1.0 CZ B:ARG57 4.2 21.2 1.0 OD1 B:ASP58 4.3 20.5 1.0 O C:HOH2010 4.4 24.0 1.0 NH2 C:ARG57 4.4 22.3 1.0 NH2 B:ARG57 4.4 22.0 1.0

Chlorine binding site 5 out of 6 in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 5 of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1172 b:22.2 occ:1.00 NH1 C:ARG71 3.2 22.5 1.0 NZ C:LYS45 3.3 17.9 1.0 O D:HOH2007 3.4 25.4 1.0 CE C:LYS45 3.4 21.3 1.0 O D:ARG71 3.6 19.2 1.0 O C:HOH2044 3.6 16.7 1.0 C D:ARG71 3.8 18.8 1.0 O D:HOH2030 3.9 24.9 1.0 CB D:ASP75 4.0 20.4 1.0 N D:GLY72 4.1 18.2 1.0 CZ C:ARG71 4.1 23.2 1.0 NH2 C:ARG71 4.1 21.1 1.0 CB D:ARG71 4.2 19.4 1.0 CA D:GLY72 4.2 17.9 1.0 CG D:ASP75 4.5 21.1 1.0 CA D:ARG71 4.6 19.0 1.0 OD1 D:ASP75 4.7 20.1 1.0 O C:HOH2024 4.8 10.4 1.0 CD C:LYS45 4.9 21.1 1.0 O C:HOH2042 5.0 26.1 1.0

Chlorine binding site 6 out of 6 in the X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 6 of X-Ray Structure Dps From Kineococcus Radiotolerans in Complex with Mn (II) Ions. within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl1172 b:22.5 occ:1.00 NH1 D:ARG71 3.2 20.3 1.0 CE D:LYS45 3.4 20.7 1.0 NZ D:LYS45 3.4 17.0 1.0 O C:ARG71 3.5 18.9 1.0 O C:HOH2041 3.5 16.2 1.0 C C:ARG71 3.8 19.6 1.0 NH2 D:ARG71 4.0 20.4 1.0 CZ D:ARG71 4.0 20.1 1.0 CB C:ASP75 4.1 19.7 1.0 N C:GLY72 4.2 19.8 1.0 CB C:ARG71 4.2 20.8 1.0 O C:HOH2039 4.2 21.5 1.0 CA C:GLY72 4.2 20.0 1.0 CA C:ARG71 4.6 19.8 1.0 CG C:ASP75 4.6 21.1 1.0 O C:HOH2046 4.8 8.3 1.0 OD1 C:ASP75 4.8 21.3 1.0 CD D:LYS45 4.9 19.8 1.0

M.Ardini, A.Fiorillo, M.Fittipaldi, S.Stefanini, D.Gatteschi, A.Llari, E.Chiancone. Kineococcus Radiotolerans Dps Forms A Heteronuclear Mn-Fe Ferroxidase Center That May Explain the Mn-Dependent Protection Against Oxidative Stress. Biochim.Biophys.Acta V.1830 3745 2013.
ISSN: ISSN 0006-3002
PubMed: 23396000
DOI: 10.1016/J.BBAGEN.2013.02.003