Chlorine in PDB 6gmi: Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.

The structure of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm., PDB code: 6gmi was solved by J.G.Rebelein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.07 / 1.60
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	57.507, 57.507, 184.130, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 19.9

The structure of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. also contains other interesting chemical elements:

Iridium

(Ir)

5 atoms

The binding sites of Chlorine atom in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. (pdb code 6gmi). 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 Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm., PDB code: 6gmi:

Chlorine binding site 1 out of 1 in the Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in E. Coli'S Periplasm. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:57.0 occ:0.50 CL1 A:4IR201 0.0 57.0 0.5 IR1 A:4IR201 2.4 45.2 0.8 C26 A:4IR201 2.7 55.4 0.8 C21 A:4IR201 2.8 49.1 0.8 C20 A:4IR201 3.4 51.7 0.8 N5 A:4IR201 3.4 47.1 1.0 N4 A:4IR201 3.5 42.2 1.0 C17 A:4IR201 3.5 47.8 0.8 O4 A:4IR201 3.6 47.4 1.0 C28 A:4IR201 3.7 50.6 1.0 C25 A:4IR201 3.8 51.2 0.8 S2 A:4IR201 3.8 49.0 1.0 C27 A:4IR201 4.0 46.2 1.0 O3 A:4IR201 4.0 40.9 1.0 C22 A:4IR201 4.1 52.7 0.8 C19 A:4IR201 4.2 46.8 0.8 C18 A:4IR201 4.3 46.3 0.8

J.Zhao, J.G.Rebelein, H.Mallin, C.Trindler, M.M.Pellizzoni, T.R.Ward. Genetic Engineering of An Artificial Metalloenzyme For Transfer Hydrogenation of A Self-Immolative Substrate in Escherichia Coli'S Periplasm. J. Am. Chem. Soc. V. 140 13171 2018.
ISSN: ESSN 1520-5126
PubMed: 30272972
DOI: 10.1021/JACS.8B07189