Iron in PDB 6kzs: Crystal Structure of Cytochrome P450MEL 107F1 in Complex with Heme and Imidazole

The structure of Crystal Structure of Cytochrome P450MEL 107F1 in Complex with Heme and Imidazole, PDB code: 6kzs was solved by X.D.Hou, Y.J.Rao, P.Icyishaka, C.X.Li, J.L.Lou, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.82 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.699, 81.395, 100.494, 90.00, 90.00, 90.00
R / Rfree (%)	18.6 / 20.7

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450MEL 107F1 in Complex with Heme and Imidazole (pdb code 6kzs). 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 Cytochrome P450MEL 107F1 in Complex with Heme and Imidazole, PDB code: 6kzs:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450MEL 107F1 in Complex with Heme and Imidazole


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 Cytochrome P450MEL 107F1 in Complex with Heme and Imidazole within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:8.5 occ:1.00 FE A:HEM501 0.0 8.5 1.0 ND A:HEM501 2.0 7.2 1.0 NB A:HEM501 2.0 6.5 1.0 NC A:HEM501 2.0 8.1 1.0 NA A:HEM501 2.0 7.6 1.0 N1 A:IMD502 2.2 10.7 1.0 SG A:CYS354 2.4 8.2 1.0 C5 A:IMD502 3.0 7.6 1.0 C1C A:HEM501 3.0 8.5 1.0 C1B A:HEM501 3.0 7.8 1.0 C1A A:HEM501 3.0 6.9 1.0 C1D A:HEM501 3.1 9.3 1.0 C4D A:HEM501 3.1 9.4 1.0 C4C A:HEM501 3.1 8.1 1.0 C4B A:HEM501 3.1 8.6 1.0 C4A A:HEM501 3.1 7.7 1.0 C2 A:IMD502 3.2 9.8 1.0 CB A:CYS354 3.4 7.0 1.0 CHA A:HEM501 3.4 8.9 1.0 CHC A:HEM501 3.4 8.3 1.0 CHB A:HEM501 3.4 8.1 1.0 CHD A:HEM501 3.4 10.6 1.0 CA A:CYS354 4.1 7.8 1.0 C4 A:IMD502 4.2 7.3 1.0 C2B A:HEM501 4.3 7.6 1.0 C2C A:HEM501 4.3 8.6 1.0 C3B A:HEM501 4.3 7.5 1.0 C2D A:HEM501 4.3 10.4 1.0 C3C A:HEM501 4.3 9.1 1.0 C3D A:HEM501 4.3 10.1 1.0 C3A A:HEM501 4.3 8.5 1.0 C2A A:HEM501 4.3 7.9 1.0 N3 A:IMD502 4.3 12.3 1.0 N A:GLY356 4.8 9.4 1.0 C A:CYS354 4.8 9.1 1.0 N A:LEU355 4.9 8.7 1.0 OG1 A:THR246 4.9 10.6 1.0 CB A:THR242 5.0 9.9 1.0

X.D.Hou, Y.J.Rao, P.Icyishaka, C.X.Li, J.L.Lou, C.M.Liu. Crystallization and X-Ray Analysis of Cytochrome P450MEL 107F1 with Biaryl Coupling Reactivity To Be Published.