Chlorine in PDB 4k0d: Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942

The structure of Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942, PDB code: 4k0d was solved by P.R.Pokkuluri, J.C.Mack, J.Bearden, E.Rakowski, M.Schiffer, A.Joachimiak, Midwest Center For Structural Genomics (Mcsg), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 2.00
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	87.693, 75.184, 51.031, 90.00, 105.18, 90.00
R / Rfree (%)	19.8 / 25.2

The structure of Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942 also contains other interesting chemical elements:

Zinc	(Zn)	5 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942 (pdb code 4k0d). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942, PDB code: 4k0d:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl203 b:43.0 occ:1.00 ZN B:ZN202 3.1 43.2 1.0 OE1 A:GLU153 4.1 36.2 1.0 ND1 B:HIS175 4.4 41.7 1.0 OE2 A:GLU153 4.5 29.0 1.0 CB B:HIS175 4.7 38.1 1.0 CG B:HIS175 4.7 40.7 1.0 CD A:GLU153 4.7 37.2 1.0 NH2 A:ARG160 4.8 52.0 0.0 O B:ALA171 4.8 29.5 1.0

Chlorine binding site 2 out of 4 in the Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:57.6 occ:1.00 ZN A:ZN202 2.1 50.0 1.0 OE2 A:GLU106 2.4 62.1 1.0 ND1 A:HIS169 2.8 44.8 1.0 CE1 A:HIS169 3.0 40.6 1.0 CD A:GLU106 3.6 55.8 1.0 OE1 A:GLU106 4.1 54.6 1.0 O A:HOH360 4.2 61.0 1.0 CG A:HIS169 4.2 41.5 1.0 NE2 A:HIS169 4.3 37.3 1.0 CD A:PRO105 4.7 36.3 1.0 CG A:GLU106 4.7 55.4 1.0 CG A:PRO105 4.8 34.9 1.0 O A:HOH316 4.9 40.9 1.0 CD2 A:HIS169 4.9 46.1 1.0 CB A:HIS169 5.0 34.0 1.0

Chlorine binding site 3 out of 4 in the Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:37.9 occ:1.00 ZN A:ZN201 2.3 35.5 1.0 OD1 A:ASP42 3.2 45.1 1.0 O B:HOH301 3.3 30.9 1.0 CA B:HIS64 3.5 32.6 1.0 OE2 A:GLU46 3.5 36.8 1.0 N B:HIS64 3.7 27.3 1.0 CB B:HIS64 3.7 29.5 1.0 ND1 B:HIS64 3.8 30.6 1.0 CB A:LEU45 3.8 30.1 1.0 CB B:LEU63 4.0 27.0 1.0 C B:LEU63 4.0 35.4 1.0 CD1 A:LEU45 4.1 39.9 1.0 CD A:GLU46 4.1 37.1 1.0 O B:LEU63 4.2 35.4 1.0 CG B:HIS64 4.2 28.7 1.0 CD1 B:LEU67 4.3 38.3 1.0 CB B:LEU67 4.4 28.5 1.0 CG A:ASP42 4.4 43.1 1.0 O B:SER60 4.5 31.3 1.0 CG A:GLU46 4.5 35.2 1.0 CG A:LEU45 4.6 44.9 1.0 CA B:LEU63 4.7 30.4 1.0 CG B:LEU67 4.8 37.4 1.0 C A:LEU45 4.8 33.5 1.0 C B:HIS64 4.8 33.3 1.0 OE1 A:GLU46 4.9 30.1 1.0 CA A:LEU45 4.9 41.1 1.0 CE1 B:HIS64 4.9 32.1 1.0 O A:ASP42 4.9 35.1 1.0 CD2 B:LEU67 5.0 41.6 1.0 OD2 A:ASP42 5.0 44.7 1.0 N A:GLU46 5.0 32.9 1.0

Chlorine binding site 4 out of 4 in the Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Periplasmic Sensor Domain of Sensor Histidine Kinase, ADEH_2942 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl206 b:38.8 occ:1.00 ZN B:ZN201 2.2 36.2 1.0 CA A:HIS64 3.3 31.9 1.0 O A:HOH319 3.3 42.5 1.0 OD1 B:ASP42 3.4 41.4 1.0 OE2 B:GLU46 3.4 38.6 1.0 ND1 A:HIS64 3.4 34.2 1.0 N A:HIS64 3.5 27.6 1.0 CB A:HIS64 3.6 30.6 1.0 C A:LEU63 3.8 31.6 1.0 CB B:LEU45 3.8 26.9 1.0 CG A:HIS64 4.0 28.7 1.0 CB A:LEU63 4.0 27.9 1.0 O A:LEU63 4.1 27.7 1.0 CD B:GLU46 4.1 38.2 1.0 CD2 A:LEU67 4.2 42.9 1.0 O A:SER60 4.3 32.0 1.0 CD1 B:LEU45 4.3 35.4 1.0 CB A:LEU67 4.5 27.3 1.0 CG B:GLU46 4.6 35.0 1.0 CG B:ASP42 4.6 34.2 1.0 CA A:LEU63 4.6 28.0 1.0 CE1 A:HIS64 4.6 33.9 1.0 C A:HIS64 4.7 30.3 1.0 CG B:LEU45 4.7 35.3 1.0 C B:LEU45 4.8 31.4 1.0 OE1 B:GLU46 4.9 34.6 1.0 N B:GLU46 4.9 30.6 1.0 O B:ASP42 5.0 34.8 1.0 CA B:LEU45 5.0 29.5 1.0 O B:LEU45 5.0 27.1 1.0 CG A:LEU67 5.0 37.4 1.0

P.R.Pokkuluri, J.Dwulit-Smith, N.E.Duke, R.Wilton, J.C.Mack, J.Bearden, E.Rakowski, G.Babnigg, H.Szurmant, A.Joachimiak, M.Schiffer. Analysis of Periplasmic Sensor Domains From Anaeromyxobacter Dehalogenans 2CP-C: Structure of One Sensor Domain From A Histidine Kinase and Another From A Chemotaxis Protein. Microbiologyopen V. 2 766 2013.
PubMed: 23897711
DOI: 10.1002/MBO3.112