Iron in PDB 2wm4: X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid

The structure of X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid, PDB code: 2wm4 was solved by J.B.Johnston, P.M.Kells, L.M.Podust, P.R.Ortiz De Montellano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.94 / 2.11
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	51.596, 73.400, 109.696, 90.00, 90.00, 90.00
R / Rfree (%)	16.6 / 23.2

The structure of X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid also contains other interesting chemical elements:

Calcium

(Ca)

1 atom

The binding sites of Iron atom in the X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid (pdb code 2wm4). 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 X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid, PDB code: 2wm4:

Iron binding site 1 out of 1 in the X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Structure of Mycobacterium Tuberculosis Cytochrome P450 CYP124 in Complex with Phytanic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe450 b:22.8 occ:1.00 FE A:HEM450 0.0 22.8 1.0 NB A:HEM450 2.0 19.9 1.0 NC A:HEM450 2.1 19.2 1.0 ND A:HEM450 2.1 21.7 1.0 NA A:HEM450 2.1 20.7 1.0 SG A:CYS379 2.4 23.6 1.0 C1B A:HEM450 3.0 19.5 1.0 C4B A:HEM450 3.0 21.2 1.0 C1D A:HEM450 3.1 22.2 1.0 C1C A:HEM450 3.1 19.6 1.0 C4C A:HEM450 3.1 21.0 1.0 C1A A:HEM450 3.1 22.3 1.0 C4A A:HEM450 3.1 19.7 1.0 C4D A:HEM450 3.1 21.4 1.0 CB A:CYS379 3.3 20.7 1.0 CHC A:HEM450 3.5 17.3 1.0 CHB A:HEM450 3.5 19.9 1.0 CHA A:HEM450 3.5 19.6 1.0 CHD A:HEM450 3.5 21.4 1.0 C20 A:VGJ1429 3.9 23.9 1.0 CA A:CYS379 4.0 21.4 1.0 C2B A:HEM450 4.2 17.6 1.0 C3B A:HEM450 4.2 18.8 1.0 C2D A:HEM450 4.3 22.4 1.0 C3C A:HEM450 4.3 20.2 1.0 C2C A:HEM450 4.3 20.2 1.0 C3A A:HEM450 4.4 19.4 1.0 C2A A:HEM450 4.4 21.5 1.0 C3D A:HEM450 4.4 21.7 1.0 N A:GLY381 4.5 23.2 1.0 N A:LEU380 4.5 22.1 1.0 C A:CYS379 4.5 22.1 1.0 CB A:ALA267 4.9 22.3 1.0 CA A:GLY381 4.9 22.6 1.0 OG1 A:THR271 4.9 25.4 1.0

J.B.Johnston, P.M.Kells, L.M.Podust, P.R.Ortiz De Montellano. Biochemical and Structural Characterization of CYP124: A Methyl-Branched Lipid Omega-Hydroxylase From Mycobacterium Tuberculosis. Proc. Natl. Acad. Sci. V. 106 20687 2009U.S.A..
ISSN: ESSN 1091-6490
PubMed: 19933331
DOI: 10.1073/PNAS.0907398106