Chlorine in PDB 6hk5: X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site

The structure of X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site, PDB code: 6hk5 was solved by M.Alfano, J.Perard, C.Basset, P.Carpentier, B.Zambelli, J.Timm, S.Crouzy, S.Ciurli, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.75 / 2.04
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.800, 74.280, 70.640, 90.00, 92.74, 90.00
R / Rfree (%)	20 / 25.9

The structure of X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site also contains other interesting chemical elements:

Nickel	(Ni)	4 atoms
Calcium	(Ca)	1 atom

The binding sites of Chlorine atom in the X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site (pdb code 6hk5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site, PDB code: 6hk5:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site


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 of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl103 b:65.4 occ:1.00 O C:HOH213 2.8 30.1 1.0 O B:HOH215 3.2 42.1 1.0 CL C:CL102 3.9 54.7 1.0 O B:HOH205 4.9 47.4 1.0

Chlorine binding site 2 out of 3 in the X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site


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 of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl102 b:54.7 occ:1.00 O C:HOH213 2.3 30.1 1.0 OD2 C:ASP40 2.9 42.7 1.0 O B:HOH205 3.0 47.4 1.0 CL C:CL103 3.2 63.3 1.0 O B:HOH215 3.6 42.1 1.0 CL B:CL103 3.9 65.4 1.0 CG C:ASP40 3.9 39.9 1.0 O C:HOH227 4.3 44.5 1.0 OD1 C:ASP40 4.4 40.5 1.0 CB C:ASP40 5.0 33.9 1.0

Chlorine binding site 3 out of 3 in the X-Ray Structure of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site


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 of A Truncated Mutant of the Metallochaperone Cooj with A High-Affinity Nickel-Binding Site within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl103 b:63.3 occ:1.00 CL C:CL102 3.2 54.7 1.0 NH2 B:ARG9 3.7 37.8 1.0 OD2 C:ASP40 4.0 42.7 1.0 NH1 B:ARG9 4.2 44.8 1.0 CZ B:ARG9 4.3 39.1 1.0 O C:ALA38 4.3 35.0 1.0 CG C:ASP40 4.4 39.9 1.0 O C:HOH227 4.4 44.5 1.0 CB C:ASP40 4.5 33.9 1.0 N C:ASP40 4.7 28.6 1.0

M.Alfano, J.Perard, P.Carpentier, C.Basset, B.Zambelli, J.Timm, S.Crouzy, S.Ciurli, C.Cavazza. The Carbon Monoxide Dehydrogenase Accessory Protein Cooj Is A Histidine-Rich Multidomain Dimer Containing An Unexpected Ni(II)-Binding Site. J.Biol.Chem. V. 294 7601 2019.
ISSN: ESSN 1083-351X
PubMed: 30858174
DOI: 10.1074/JBC.RA119.008011