Iron in PDB 3cxy: Crystal Structure of the Cytochrome P450 CYP121 P346L Mutant From M. Tuberculosis

The structure of Crystal Structure of the Cytochrome P450 CYP121 P346L Mutant From M. Tuberculosis, PDB code: 3cxy was solved by D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.40 / 1.45
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.714, 77.714, 265.046, 90.00, 90.00, 120.00
R / Rfree (%)	15.2 / 18.6

The binding sites of Iron atom in the Crystal Structure of the Cytochrome P450 CYP121 P346L Mutant From M. Tuberculosis (pdb code 3cxy). 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 the Cytochrome P450 CYP121 P346L Mutant From M. Tuberculosis, PDB code: 3cxy:

Iron binding site 1 out of 1 in the Crystal Structure of the Cytochrome P450 CYP121 P346L Mutant From M. Tuberculosis


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 the Cytochrome P450 CYP121 P346L Mutant From M. Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe462 b:15.3 occ:1.00 FE A:HEM462 0.0 15.3 1.0 NB A:HEM462 2.0 13.2 1.0 NA A:HEM462 2.0 13.2 1.0 NC A:HEM462 2.0 14.8 1.0 ND A:HEM462 2.1 16.1 0.5 ND A:HEM462 2.1 15.8 0.5 SG A:CYS345 2.3 17.1 1.0 O A:HOH910 2.4 22.4 1.0 C4B A:HEM462 3.0 13.4 1.0 C1B A:HEM462 3.1 12.7 1.0 C4A A:HEM462 3.1 12.1 1.0 C4C A:HEM462 3.1 16.4 1.0 C1D A:HEM462 3.1 17.4 0.5 C4D A:HEM462 3.1 16.7 0.5 C1C A:HEM462 3.1 15.1 1.0 C4D A:HEM462 3.1 16.9 0.5 C1A A:HEM462 3.1 14.4 1.0 C1D A:HEM462 3.1 17.7 0.5 CB A:CYS345 3.4 17.5 1.0 CHC A:HEM462 3.4 15.1 1.0 CHA A:HEM462 3.4 15.1 0.5 CHD A:HEM462 3.4 17.2 0.5 CHB A:HEM462 3.4 13.3 1.0 CHA A:HEM462 3.4 15.0 0.5 CHD A:HEM462 3.5 17.6 0.5 CA A:CYS345 4.1 17.5 1.0 O A:HOH1014 4.2 24.6 1.0 C3B A:HEM462 4.3 13.8 1.0 C3C A:HEM462 4.3 15.7 1.0 C2B A:HEM462 4.3 13.7 1.0 C3A A:HEM462 4.3 12.4 1.0 C3D A:HEM462 4.3 16.9 0.5 C2A A:HEM462 4.3 12.8 1.0 C2D A:HEM462 4.3 17.3 0.5 C2C A:HEM462 4.3 15.7 1.0 C3D A:HEM462 4.3 18.4 0.5 C2D A:HEM462 4.3 17.8 0.5 OG A:SER237 4.6 13.9 1.0 N A:GLY347 4.8 19.3 1.0 C A:CYS345 4.8 18.8 1.0 N A:LEU346 4.9 20.1 1.0 CB A:SER237 4.9 12.1 1.0

K.J.Mclean, P.Carrol, D.G.Lewis, A.J.Dunford, H.E.Seward, R.Neeli, S.T.Cole, D.Leys, T.Parish, A.W.Munro. Characterization of Active Site Structure in CYP121 To Be Published.