Chlorine in PDB 3zg1: Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs

The structure of Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs, PDB code: 3zg1 was solved by E.Girard, J.Coves, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.737 / 1.85
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	31.846, 79.125, 93.475, 90.00, 90.10, 90.00
R / Rfree (%)	17.63 / 22.24

The structure of Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs also contains other interesting chemical elements:

Nickel

(Ni)

4 atoms

The binding sites of Chlorine atom in the Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs (pdb code 3zg1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs, PDB code: 3zg1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1149 b:44.5 occ:1.00 OE1 B:GLN113 3.5 31.0 1.0 O A:HOH2036 3.6 34.3 1.0 CD B:GLN113 3.9 28.0 1.0 O B:HOH2036 4.1 41.7 1.0 NE2 B:GLN113 4.2 31.8 1.0 CD1 A:LEU77 4.3 24.5 1.0 CD2 A:LEU77 4.4 23.3 1.0 CG1 A:VAL105 4.5 21.5 1.0 O B:HOH2035 4.7 68.8 1.0 CG B:GLN113 4.7 23.1 1.0 CG A:LEU77 4.9 23.1 1.0 ND2 A:ASN81 5.0 28.0 1.0

Chlorine binding site 2 out of 2 in the Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Ni-Bound Form of M123A Mutant of Cupriavidus Metallidurans CH34 Cnrxs within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1150 b:71.0 occ:1.00 NE B:ARG137 3.2 25.8 0.5 CD B:ARG137 3.5 25.5 0.5 NE B:ARG137 3.5 25.1 0.5 CZ B:ARG137 3.6 25.2 0.5 CZ B:ARG137 3.7 24.8 0.5 NH2 B:ARG137 3.9 24.2 0.5 CD B:ARG137 3.9 25.7 0.5 NH1 B:ARG137 3.9 27.1 0.5 NH2 B:ARG137 4.1 27.4 0.5 NH1 B:ARG137 4.3 24.3 0.5 CG B:ARG137 4.8 25.6 0.5 CG B:ARG137 4.8 25.7 0.5

J.Trepreau, C.Grosse, J.-M.Mouesca, G.Sarret, E.Girard, I.Petit-Haertlein, S.Kuennemann, C.Desbourdes, E.De Rosny, A.P.Maillard, D.H.Nies, J.Coves. Metal Sensing and Signal Transduction By Cnrx From Cupriavidus Metallidurans CH34: Role of the Only Methionine Assessed By A Functional, Spectroscopic, and Theoretical Study Metallomics V. 6 263 2014.
ISSN: ISSN 1756-5901
PubMed: 24154823
DOI: 10.1039/C3MT00248A