Chlorine in PDB 7a0c: X-Ray Structure of Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn

The structure of X-Ray Structure of Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn, PDB code: 7a0c was solved by C.Cavazza, S.Menage, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.88 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	86.809, 93.796, 124.222, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 22.2

The structure of X-Ray Structure of Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn also contains other interesting chemical elements:

Magnesium	(Mg)	5 atoms
Iron	(Fe)	2 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn (pdb code 7a0c). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the X-Ray Structure of Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn, PDB code: 7a0c:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn


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 Nika From Escherichia Coli in Complex with Fe-6- ME2-Bpmcn within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl611 b:46.0 occ:1.00 OG1 B:THR456 2.8 21.5 1.0 NH1 B:ARG452 2.9 19.9 1.0 CG B:ARG452 3.5 20.5 1.0 CD B:ARG452 3.7 27.0 1.0 CG2 B:THR456 3.8 21.3 1.0 CB B:THR456 3.8 25.5 1.0 CZ B:ARG452 4.0 23.1 1.0 CD2 B:LEU305 4.1 23.7 1.0 O B:LEU303 4.1 23.0 1.0 NE B:ARG452 4.3 21.6 1.0 CB B:LEU303 4.5 17.5 1.0 O B:ARG452 4.6 20.1 1.0 CB B:ARG452 4.9 24.3 1.0

S.Lopez, C.Marchi-Delapierre, C.Cavazza, S.Menage. A Selective Sulfide Oxidation Catalyzed By Heterogeneous Artificial Metalloenzymes Iron@Nika. Chemistry 2020.
ISSN: ISSN 0947-6539
PubMed: 33079395
DOI: 10.1002/CHEM.202003746