Chlorine in PDB 8amo: Crystal Structure of M. Tuberculosis CYP143

The structure of Crystal Structure of M. Tuberculosis CYP143, PDB code: 8amo was solved by S.Bukhdruker, T.Varaksa, A.Grudo, E.Marin, I.Kapranov, M.Shevtsov, A.Gilep, N.Strushkevich, V.Borshchevskiy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	27.78 / 1.40
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	42.21, 48.53, 54.15, 111.65, 99.5, 109.34
R / Rfree (%)	17 / 20

The structure of Crystal Structure of M. Tuberculosis CYP143 also contains other interesting chemical elements:

Iron

(Fe)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of M. Tuberculosis CYP143 (pdb code 8amo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of M. Tuberculosis CYP143, PDB code: 8amo:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of M. Tuberculosis CYP143


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 M. Tuberculosis CYP143 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:34.1 occ:0.50 CL A:CL502 0.0 34.1 0.5 CL A:CL502 1.3 34.1 0.5 O A:HOH925 3.0 36.9 1.0 NH2 A:ARG391 3.1 29.6 1.0 O A:HOH789 3.8 26.9 1.0 O A:HOH924 3.8 19.8 0.5 CB A:PRO389 4.2 18.2 1.0 CZ A:ARG391 4.4 29.3 1.0 O A:HOH658 4.4 34.1 1.0 O A:HOH924 4.6 14.9 0.5 NH1 A:ARG391 4.8 22.8 1.0 CG A:PRO389 4.9 14.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of M. Tuberculosis CYP143


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of M. Tuberculosis CYP143 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:34.1 occ:0.50 CL A:CL502 0.0 34.1 0.5 CL A:CL502 1.3 34.1 0.5 O A:HOH925 2.6 36.9 1.0 O A:HOH924 3.0 19.8 0.5 NH2 A:ARG391 3.3 29.6 1.0 O A:HOH924 3.9 14.9 0.5 CZ A:ARG391 4.6 29.3 1.0 O A:HOH789 4.9 26.9 1.0

A.Gilep, T.Varaksa, S.Bukhdruker, A.Kavaleuski, Y.Ryzhykau, S.Smolskaya, T.Sushko, K.Tsumoto, I.Grabovec, I.Kapranov, I.Okhrimenko, E.Marin, M.Shevtsov, A.Mishin, K.Kovalev, A.Kuklin, V.Gordeliy, L.Kaluzhskiy, O.Gnedenko, E.Yablokov, A.Ivanov, V.Borshchevskiy, N.Strushkevich. Structural Insights Into 3FE-4S Ferredoxins Diversity in M. Tuberculosis Highlighted By A First Redox Complex with P450. Front Mol Biosci V. 9 00032 2022.
ISSN: ESSN 2296-889X
PubMed: 36699703
DOI: 10.3389/FMOLB.2022.1100032