Chlorine in PDB 4onx: 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens.

The structure of 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens., PDB code: 4onx was solved by G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, K.Kwon, S.Shatsman, W.F.Anderson, Center For Structural Genomics Of Infectiousdiseases (Csgid), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.51 / 2.80
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	73.903, 82.739, 73.954, 90.00, 105.92, 90.00
R / Rfree (%)	19.7 / 25

The structure of 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens. also contains other interesting chemical elements:

Zinc

(Zn)

3 atoms

The binding sites of Chlorine atom in the 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens. (pdb code 4onx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens., PDB code: 4onx:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl202 b:91.7 occ:0.70 N A:ASP113 3.4 1.0 1.0 CB A:LYS115 3.5 0.1 1.0 CA A:ASP113 3.7 0.0 1.0 N A:LYS115 3.8 0.9 1.0 N A:LYS114 4.0 0.3 1.0 C A:ASP113 4.2 0.5 1.0 CA A:LYS115 4.3 0.1 1.0 CD A:LYS115 4.5 0.4 1.0 C A:GLU112 4.6 0.7 1.0 O A:ASN111 4.6 0.9 1.0 CG A:LYS115 4.6 0.2 1.0 C A:LYS114 4.9 0.1 1.0 CA A:GLU112 4.9 0.4 1.0

Chlorine binding site 2 out of 3 in the 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl202 b:77.3 occ:0.50 N B:ASP113 3.1 96.5 1.0 CA B:ASP113 3.5 85.2 1.0 CB B:LYS115 3.7 79.0 1.0 N B:LYS115 3.9 71.1 1.0 N B:LYS114 4.0 73.2 1.0 C B:ASP113 4.1 73.6 1.0 O B:ASN111 4.2 99.0 1.0 C B:GLU112 4.2 0.4 1.0 CA B:LYS115 4.5 78.3 1.0 CA B:GLU112 4.5 99.2 1.0 CD B:LYS115 4.7 88.7 1.0 CG B:LYS115 4.8 84.1 1.0 CB B:ASP113 4.9 88.5 1.0 OD1 B:ASP113 4.9 0.8 1.0 C B:LYS114 5.0 66.7 1.0

Chlorine binding site 3 out of 3 in the 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens. within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:94.7 occ:0.75 N C:ASP113 3.5 0.6 1.0 CB C:LYS115 3.6 0.1 1.0 CA C:ASP113 3.8 96.6 1.0 N C:LYS115 3.9 0.9 1.0 N C:LYS114 4.0 0.0 1.0 C C:ASP113 4.3 93.7 1.0 O C:ASN111 4.3 0.1 1.0 CA C:LYS115 4.4 0.2 1.0 C C:GLU112 4.5 0.2 1.0 CD C:LYS115 4.6 0.3 1.0 CG C:LYS115 4.7 0.3 1.0 CA C:GLU112 4.8 0.9 1.0 OE1 C:GLU112 4.9 0.2 1.0 C C:LYS114 5.0 0.3 1.0

G.Minasov, A.Halavaty, L.Shuvalova, I.Dubrovska, J.Winsor, K.Kwon, S.Shatsman, W.F.Anderson, Center For Structural Genomics Of Infectious Diseases(Csgid). 2.8 Angstrom Crystal Structure of Sensor Domain of Histidine Kinase From Clostridium Perfringens. To Be Published.