Iron 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:

Chlorine

(Cl)

2 atoms

The binding sites of Iron atom in the Crystal Structure of M. Tuberculosis CYP143 (pdb code 8amo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of M. Tuberculosis CYP143, PDB code: 8amo:

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


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of M. Tuberculosis CYP143 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:15.0 occ:1.00 FE A:HEM501 0.0 15.0 1.0 NB A:HEM501 2.0 12.4 1.0 ND A:HEM501 2.0 16.0 1.0 NC A:HEM501 2.0 15.6 1.0 NA A:HEM501 2.1 15.2 1.0 SG A:CYS342 2.4 16.4 1.0 O A:HOH644 2.4 23.2 1.0 C1C A:HEM501 3.0 16.2 1.0 C4B A:HEM501 3.0 16.3 1.0 C4D A:HEM501 3.0 16.3 1.0 C1A A:HEM501 3.1 16.7 1.0 C1B A:HEM501 3.1 14.3 1.0 C4C A:HEM501 3.1 15.4 1.0 C1D A:HEM501 3.1 15.3 1.0 C4A A:HEM501 3.1 12.9 1.0 CHC A:HEM501 3.4 16.1 1.0 CHA A:HEM501 3.4 14.3 1.0 CB A:CYS342 3.4 15.5 1.0 CHD A:HEM501 3.5 14.2 1.0 CHB A:HEM501 3.5 13.9 1.0 O A:HOH939 4.0 26.7 0.5 CA A:CYS342 4.1 14.8 1.0 C2C A:HEM501 4.2 14.8 1.0 C3B A:HEM501 4.3 15.8 1.0 C3C A:HEM501 4.3 13.7 1.0 C2B A:HEM501 4.3 17.4 1.0 C3D A:HEM501 4.3 14.2 1.0 C2D A:HEM501 4.3 15.7 1.0 C3A A:HEM501 4.3 14.3 1.0 C2A A:HEM501 4.3 12.7 1.0 O A:ALA232 4.5 21.7 1.0 O2 A:GOL504 4.7 26.3 0.5 N A:GLY344 4.7 14.3 1.0 C A:CYS342 4.7 15.6 1.0 N A:LEU343 4.8 13.3 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