Iron in PDB 4uax: X-Ray Crystal Structure of Ligand Free CYP142A2 From Mycobacterium Smegmatis

The structure of X-Ray Crystal Structure of Ligand Free CYP142A2 From Mycobacterium Smegmatis, PDB code: 4uax was solved by Y.Madrona, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.59 / 1.78
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	56.650, 83.518, 94.501, 90.00, 90.00, 90.00
R / Rfree (%)	16.7 / 19.6

The binding sites of Iron atom in the X-Ray Crystal Structure of Ligand Free CYP142A2 From Mycobacterium Smegmatis (pdb code 4uax). 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 Crystal Structure of Ligand Free CYP142A2 From Mycobacterium Smegmatis, PDB code: 4uax:

Iron binding site 1 out of 1 in the X-Ray Crystal Structure of Ligand Free CYP142A2 From Mycobacterium Smegmatis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of X-Ray Crystal Structure of Ligand Free CYP142A2 From Mycobacterium Smegmatis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:7.3 occ:1.00 FE A:HEM501 0.0 7.3 1.0 ND A:HEM501 2.0 10.6 1.0 NA A:HEM501 2.0 6.5 1.0 NB A:HEM501 2.0 6.8 1.0 NC A:HEM501 2.0 7.0 1.0 SG A:CYS343 2.3 8.7 1.0 O A:HOH770 2.6 15.3 1.0 C4B A:HEM501 3.0 6.3 1.0 C1C A:HEM501 3.0 7.7 1.0 C4D A:HEM501 3.1 9.6 1.0 C1A A:HEM501 3.1 7.9 1.0 C1D A:HEM501 3.1 10.0 1.0 C4A A:HEM501 3.1 7.7 1.0 C4C A:HEM501 3.1 8.4 1.0 C1B A:HEM501 3.1 7.9 1.0 CB A:CYS343 3.3 5.7 1.0 CHC A:HEM501 3.4 8.1 1.0 CHA A:HEM501 3.4 8.5 1.0 CHD A:HEM501 3.5 9.1 1.0 CHB A:HEM501 3.5 6.8 1.0 CA A:CYS343 4.0 6.8 1.0 O A:GLY233 4.1 10.6 1.0 C3B A:HEM501 4.2 7.1 1.0 C3D A:HEM501 4.3 8.3 1.0 C2D A:HEM501 4.3 9.6 1.0 C3A A:HEM501 4.3 6.5 1.0 C2C A:HEM501 4.3 6.5 1.0 C3C A:HEM501 4.3 8.0 1.0 C2B A:HEM501 4.3 6.2 1.0 C2A A:HEM501 4.3 8.2 1.0 O A:HOH1077 4.3 25.8 1.0 N A:GLY345 4.6 8.3 1.0 C A:CYS343 4.7 8.6 1.0 N A:LEU344 4.7 8.0 1.0 C A:GLY233 4.8 9.5 1.0 CD1 A:PHE336 5.0 8.5 1.0

D.J.Frank, Y.Madrona, P.R.Ortiz De Montellano. Cholesterol Ester Oxidation By Mycobacterial Cytochrome P450. J.Biol.Chem. V. 289 30417 2014.
ISSN: ESSN 1083-351X
PubMed: 25210044
DOI: 10.1074/JBC.M114.602771