Caesium in PDB 6jis: Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus

The structure of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus, PDB code: 6jis was solved by S.Luo, Y.Ju, H.Zhou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.24 / 1.82
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	70.850, 60.374, 76.755, 90.00, 116.09, 90.00
R / Rfree (%)	19.5 / 24.9

The structure of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus also contains other interesting chemical elements:

Chlorine

(Cl)

3 atoms

The binding sites of Caesium atom in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus (pdb code 6jis). This binding sites where shown within 5.0 Angstroms radius around Caesium atom.
In total 7 binding sites of Caesium where determined in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus, PDB code: 6jis:
Jump to Caesium binding site number: 1; 2; 3; 4; 5; 6; 7;

Caesium binding site 1 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 1 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs308 b:34.0 occ:0.50 O A:ASP232 3.0 21.1 1.0 OG1 A:THR234 3.0 19.7 1.0 O A:HOH548 3.5 12.9 1.0 O A:HOH413 3.7 33.5 1.0 CS A:CS309 4.0 38.4 0.5 C A:ASP232 4.2 19.9 1.0 CD2 A:LEU243 4.3 22.2 1.0 CB A:THR234 4.3 19.0 1.0 N A:THR234 4.4 16.5 1.0 CB A:ASP232 4.7 24.0 1.0 CA A:THR234 4.9 16.5 1.0

Caesium binding site 2 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 2 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs309 b:38.4 occ:0.50 O A:LYS231 3.0 23.1 1.0 O A:ASP232 3.1 21.1 1.0 O A:HOH549 3.6 25.5 1.0 C A:ASP232 3.8 19.9 1.0 O A:HOH548 3.8 12.9 1.0 CS A:CS308 4.0 34.0 0.5 C A:LYS231 4.2 23.9 1.0 N A:PHE233 4.3 18.8 1.0 CA A:PHE233 4.4 17.5 1.0 CA A:ASP232 4.7 22.3 1.0 CB A:ASP232 4.7 24.0 1.0 N A:ASP232 4.9 21.8 1.0

Caesium binding site 3 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 3 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs310 b:43.9 occ:0.50 O A:HOH511 3.2 23.3 1.0 OD1 A:ASP26 3.2 38.0 1.0 CG A:ASP26 4.1 35.6 1.0 CB A:ASP26 4.6 31.3 1.0 CA A:ASP26 4.8 28.9 1.0 OD2 A:ASP26 5.0 40.6 1.0

Caesium binding site 4 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 4 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs311 b:45.6 occ:0.50 OH A:TYR198 2.8 32.7 1.0 O A:GLN172 2.9 27.1 1.0 O A:HOH529 3.0 26.4 1.0 O A:ARG170 3.1 35.0 0.5 O A:ARG170 3.2 34.8 0.5 O A:HOH568 3.4 32.3 1.0 O A:VAL169 3.6 28.9 1.0 CZ A:TYR198 3.8 30.9 1.0 C A:ARG170 3.8 33.5 0.5 C A:ARG170 3.8 33.2 0.5 CE2 A:TYR198 4.0 29.1 1.0 C A:GLN172 4.1 33.0 1.0 CA A:ARG170 4.2 32.5 0.5 CA A:ARG170 4.2 32.0 0.5 CD1 A:TRP174 4.2 25.8 1.0 NE1 A:TRP174 4.5 25.8 1.0 C A:VAL169 4.6 29.2 1.0 N A:GLN172 4.6 36.7 1.0 O A:HOH522 4.7 42.4 1.0 N A:GLU171 4.8 33.9 1.0 N A:ARG170 4.9 29.8 0.5 N A:ARG170 4.9 29.5 0.5 CE1 A:TYR198 4.9 29.7 1.0 C A:GLU171 5.0 38.7 1.0 CA A:GLN172 5.0 35.9 1.0

Caesium binding site 5 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 5 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs312 b:30.8 occ:0.50 O A:HOH457 2.9 27.8 1.0 OE2 A:GLU70 3.3 62.3 1.0 O A:HOH410 3.3 34.2 1.0 O A:HOH454 3.4 26.0 1.0 O A:HOH558 3.5 39.1 1.0 CE1 A:TYR147 3.5 20.7 1.0 CD1 A:TYR147 3.6 21.4 1.0 OG A:SER213 3.7 26.8 1.0 CZ A:TYR147 3.7 21.5 1.0 CG A:TYR147 3.8 18.4 1.0 CE2 A:TYR147 4.0 20.9 1.0 CD2 A:TYR147 4.0 19.4 1.0 CB A:SER213 4.0 22.5 1.0 OG1 A:THR180 4.0 23.2 1.0 CD A:GLU70 4.2 54.4 1.0 OE1 A:GLU70 4.4 54.2 1.0 OH A:TYR147 4.4 21.0 1.0 CB A:TYR147 4.6 17.7 1.0 O A:PHE71 5.0 31.6 1.0

Caesium binding site 6 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 6 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs313 b:31.4 occ:0.50 O A:MET38 2.9 23.7 1.0 O A:CYS45 3.1 24.2 1.0 O A:HOH572 3.6 35.6 1.0 O A:HOH531 3.8 34.6 1.0 SG A:CYS44 4.0 29.2 1.0 C A:MET38 4.0 23.7 1.0 C A:CYS45 4.2 22.9 1.0 N A:CYS45 4.4 21.8 1.0 CB A:MET38 4.6 27.6 1.0 N A:ALA40 4.7 26.5 1.0 C A:ALA39 4.8 25.3 1.0 CA A:MET38 4.8 23.3 1.0 CG A:MET38 4.8 31.2 1.0 N A:ALA39 4.8 23.5 1.0 CA A:ALA39 4.9 24.5 1.0 CA A:CYS45 4.9 23.3 1.0 O A:HOH576 4.9 22.2 1.0

Caesium binding site 7 out of 7 in the Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus


Mono view


Stereo pair view

A full contact list of Caesium with other atoms in the Cs binding site number 7 of Crystal Structure of the Histidine Racemase Cntk in Cobalt and Nickel Transporter System of Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Cs314 b:30.8 occ:0.70 OE1 A:GLN172 2.8 46.0 1.0 O A:GLN173 2.8 36.8 1.0 CL A:CL301 3.5 29.8 1.0 CE3 A:TRP174 3.5 23.6 1.0 CZ3 A:TRP174 3.6 24.6 1.0 CD A:GLN172 3.9 46.3 1.0 O A:HOH561 4.0 25.2 1.0 C A:GLN173 4.0 31.4 1.0 CD2 A:TRP174 4.0 23.2 1.0 CH2 A:TRP174 4.1 26.0 1.0 CB A:GLN172 4.4 38.0 1.0 CE2 A:TRP174 4.5 24.6 1.0 CG A:GLN172 4.5 40.2 1.0 CA A:TRP174 4.6 27.3 1.0 CZ2 A:TRP174 4.6 24.5 1.0 N A:TRP174 4.7 29.9 1.0 N A:GLN173 4.7 32.9 1.0 OH A:TYR150 4.7 32.1 1.0 CG A:TRP174 4.8 24.2 1.0 O A:HOH573 4.9 34.4 1.0 CA A:GLN173 5.0 34.0 1.0

S.Luo, Y.Ju, J.Zhou, Q.Gu, J.Xu, H.Zhou. Crystal Structure of Cntk, the Cofactor-Independent Histidine Racemase in Staphylopine-Mediated Metal Acquisition of Staphylococcus Aureus. Int.J.Biol.Macromol. V. 135 725 2019.
ISSN: ISSN 0141-8130
PubMed: 31129210
DOI: 10.1016/J.IJBIOMAC.2019.05.169