Chlorine in PDB 2bj3: Nikr-Apo

The structure of Nikr-Apo, PDB code: 2bj3 was solved by T.H.Tahirov, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.25 / 2.2
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	75.783, 54.322, 77.276, 90.00, 116.06, 90.00
R / Rfree (%)	21.8 / 26.8

The structure of Nikr-Apo also contains other interesting chemical elements:

Magnesium

(Mg)

2 atoms

The binding sites of Chlorine atom in the Nikr-Apo (pdb code 2bj3). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Nikr-Apo, PDB code: 2bj3:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Nikr-Apo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Nikr-Apo within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1140 b:48.5 occ:1.00 N B:THR133 3.1 48.8 1.0 N B:SER132 3.3 41.3 1.0 N B:GLU136 3.3 52.6 1.0 N B:LYS135 3.4 50.2 1.0 OG1 B:THR131 3.5 43.9 1.0 OG1 B:THR133 3.5 53.0 1.0 N B:GLY134 3.5 49.1 1.0 CB B:SER132 3.6 45.5 1.0 CZ2 B:TRP47 3.7 48.4 1.0 O B:GLU136 3.7 48.8 1.0 CA B:SER132 3.8 48.8 1.0 CB B:GLU136 3.9 50.8 1.0 C B:SER132 3.9 49.2 1.0 CA B:THR133 4.0 50.6 1.0 CA B:GLU136 4.0 48.7 1.0 CA B:LYS135 4.0 51.1 1.0 C B:LYS135 4.0 51.5 1.0 C B:THR133 4.1 52.6 1.0 CB B:LYS135 4.1 56.3 1.0 C B:GLU136 4.3 49.0 1.0 C B:GLY134 4.3 48.3 1.0 CB B:THR133 4.3 50.1 1.0 C B:THR131 4.3 43.3 1.0 CG B:GLU136 4.3 53.6 1.0 CH2 B:TRP47 4.3 43.9 1.0 CA B:GLY134 4.4 49.6 1.0 CA B:THR131 4.6 44.9 1.0 CB B:THR131 4.6 42.8 1.0 CE2 B:TRP47 4.6 47.1 1.0 CG B:LYS135 4.7 68.9 1.0 OG B:SER132 4.7 52.8 1.0 NE1 B:TRP47 4.9 51.2 1.0 CG2 B:THR133 5.0 46.5 1.0

Chlorine binding site 2 out of 2 in the Nikr-Apo


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Nikr-Apo within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl1139 b:70.3 occ:1.00 N C:THR133 3.1 66.2 1.0 N C:SER132 3.1 59.0 1.0 CB C:SER132 3.1 66.7 1.0 N C:GLU136 3.1 77.5 1.0 CA C:SER132 3.5 64.1 1.0 N C:LYS135 3.5 78.3 1.0 CZ2 C:TRP47 3.5 61.3 1.0 NZ C:LYS135 3.7 75.2 1.0 CB C:LYS135 3.7 77.4 1.0 CG2 C:THR133 3.7 70.1 1.0 CB C:GLU136 3.7 76.2 1.0 C C:SER132 3.8 64.1 1.0 OG1 C:THR131 3.8 51.7 1.0 O C:GLU136 3.9 64.2 1.0 N C:GLY134 3.9 68.6 1.0 CA C:GLU136 3.9 72.6 1.0 CA C:LYS135 3.9 79.3 1.0 CG C:GLU136 4.0 75.6 1.0 C C:LYS135 4.0 78.2 1.0 CA C:THR133 4.1 70.0 1.0 CH2 C:TRP47 4.2 57.1 1.0 C C:THR131 4.3 54.2 1.0 CE C:LYS135 4.3 76.7 1.0 OG C:SER132 4.3 72.5 1.0 C C:GLU136 4.3 64.2 1.0 C C:THR133 4.3 70.2 1.0 CE2 C:TRP47 4.5 61.3 1.0 CB C:THR133 4.5 73.7 1.0 CG C:LYS135 4.6 75.7 1.0 C C:GLY134 4.6 76.0 1.0 CA C:THR131 4.7 50.8 1.0 NE1 C:TRP47 4.8 64.7 1.0 CA C:GLY134 4.8 72.3 1.0 CB C:THR131 4.9 47.3 1.0 O C:SER132 5.0 60.6 1.0

P.T.Chivers, T.H.Tahirov. Structure of Pyrococcus Horikoshii Nikr: Nickel Sensing and Implications For the Regulation of Dna Recognition J.Mol.Biol. V. 348 597 2005.
ISSN: ISSN 0022-2836
PubMed: 15826657
DOI: 10.1016/J.JMB.2005.03.017