Chlorine in PDB 4i8c: X-Ray Structure of Nika in Complex with Ni-(L-His)2

The structure of X-Ray Structure of Nika in Complex with Ni-(L-His)2, PDB code: 4i8c was solved by H.Lebrette, M.Iannello, J.C.Fontecilla-Camps, C.Cavazza, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.50 / 2.50
Space group	P 62
Cell size a, b, c (Å), α, β, γ (°)	158.630, 158.630, 135.820, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.4

The structure of X-Ray Structure of Nika in Complex with Ni-(L-His)2 also contains other interesting chemical elements:

Nickel

(Ni)

3 atoms

The binding sites of Chlorine atom in the X-Ray Structure of Nika in Complex with Ni-(L-His)2 (pdb code 4i8c). 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 in Complex with Ni-(L-His)2, PDB code: 4i8c:

Chlorine binding site 1 out of 1 in the X-Ray Structure of Nika in Complex with Ni-(L-His)2


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 in Complex with Ni-(L-His)2 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl604 b:49.7 occ:1.00 N B:LEU293 3.0 39.3 1.0 O B:HOH728 3.1 37.3 0.9 ND1 B:HIS459 3.1 40.1 1.0 O B:HOH727 3.2 27.8 0.8 CB B:LEU293 3.7 32.4 1.0 CA B:THR292 3.8 38.4 1.0 CA B:HIS459 3.8 35.4 1.0 C B:THR292 3.8 37.9 1.0 CA B:LEU293 3.9 35.6 1.0 CB B:HIS459 3.9 35.7 1.0 CG B:HIS459 3.9 38.9 1.0 CE1 B:HIS459 4.1 38.4 1.0 O B:HOH729 4.2 41.6 1.0 CG B:PRO466 4.3 41.3 1.0 N B:HIS459 4.3 37.0 1.0 CB B:THR292 4.3 38.7 1.0 CD2 B:TYR464 4.6 30.7 1.0 O B:ASP291 4.6 45.8 1.0 CG2 B:THR292 4.7 33.2 1.0 C B:LEU458 4.8 38.6 1.0 O B:LEU458 4.8 37.9 1.0 CB B:TYR464 4.8 36.1 1.0 O B:HOH726 4.8 27.7 1.0 N B:THR292 5.0 41.0 1.0 O B:THR292 5.0 40.6 1.0

H.Lebrette, M.Iannello, J.C.Fontecilla-Camps, C.Cavazza. The Binding Mode of Ni-((L)-His)(2) in Nika Revealed By X-Ray Crystallography. J.Inorg.Biochem. V.121C 16 2012.
ISSN: ISSN 0162-0134
PubMed: 23314594
DOI: 10.1016/J.JINORGBIO.2012.12.010