Chlorine in PDB 7v46: Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4

The structure of Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4, PDB code: 7v46 was solved by L.L.Zhang, J.W.Huang, W.D.Liu, C.C.Chen, R.T.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.22 / 1.80
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	111.794, 111.794, 80.354, 90, 90, 120
R / Rfree (%)	18.8 / 22.1

The structure of Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4 (pdb code 7v46). 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 Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4, PDB code: 7v46:

Chlorine binding site 1 out of 1 in the Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of A Enzyme From Rhodococcus Coprophilus in Complex with S4 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:44.8 occ:1.00 CL A:C4U501 0.0 44.8 1.0 CAF A:C4U501 1.7 28.5 1.0 CAC A:C4U501 2.6 25.5 1.0 CAH A:C4U501 2.6 27.2 1.0 CE2 A:PHE198 3.5 23.1 1.0 CZ A:PHE198 3.8 25.1 1.0 CAG A:C4U501 3.9 27.1 1.0 CAB A:C4U501 3.9 24.3 1.0 CH2 A:TRP223 4.0 20.7 1.0 CD1 A:ILE89 4.2 20.7 1.0 CE2 A:PHE426 4.3 20.9 1.0 CAD A:C4U501 4.4 25.5 1.0 CZ A:PHE426 4.5 19.6 1.0 CZ2 A:TRP223 4.5 21.0 1.0 CE1 A:PHE199 4.5 21.5 1.0 OG1 A:THR278 4.6 21.2 1.0 CD2 A:PHE198 4.6 21.3 1.0 CZ A:PHE199 4.9 21.7 1.0

C.C.Chen, M.Dai, L.Zhang, J.Zhao, W.Zeng, M.Shi, J.W.Huang, W.Liu, R.T.Guo, A.Li. Molecular Basis For A Toluene Monooxygenase to Govern Substrate Selectivity Acs Catalysis V. 12 2831 2022.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.1C05845