Iron in PDB 6kzt: Crystal Structure of Cytochrome P450MEL 107F1 with Biaryl Coupling Reactivity

The structure of Crystal Structure of Cytochrome P450MEL 107F1 with Biaryl Coupling Reactivity, PDB code: 6kzt 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)	42.17 / 3.50
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	117.508, 117.508, 75.164, 90.00, 90.00, 120.00
R / Rfree (%)	18.8 / 28.1

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450MEL 107F1 with Biaryl Coupling Reactivity (pdb code 6kzt). 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 with Biaryl Coupling Reactivity, PDB code: 6kzt:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450MEL 107F1 with Biaryl Coupling Reactivity


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 with Biaryl Coupling Reactivity within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:38.0 occ:1.00 FE A:HEM501 0.0 38.0 1.0 ND A:HEM501 1.9 37.1 1.0 NA A:HEM501 2.0 35.6 1.0 NC A:HEM501 2.1 37.4 1.0 NB A:HEM501 2.1 34.3 1.0 SG A:CYS354 2.2 48.2 1.0 C1D A:HEM501 2.9 36.3 1.0 C4D A:HEM501 2.9 35.8 1.0 C4A A:HEM501 3.0 34.2 1.0 C1A A:HEM501 3.0 32.8 1.0 C4C A:HEM501 3.1 36.6 1.0 C1B A:HEM501 3.1 33.0 1.0 C4B A:HEM501 3.1 34.1 1.0 C1C A:HEM501 3.1 36.7 1.0 CHD A:HEM501 3.4 35.1 1.0 CHA A:HEM501 3.4 33.4 1.0 CB A:CYS354 3.4 48.9 1.0 CHB A:HEM501 3.4 33.2 1.0 CHC A:HEM501 3.5 34.3 1.0 C2D A:HEM501 4.1 36.3 1.0 C3D A:HEM501 4.1 36.0 1.0 C3A A:HEM501 4.2 33.3 1.0 CA A:CYS354 4.2 47.5 1.0 C2A A:HEM501 4.2 31.9 1.0 C3C A:HEM501 4.3 38.5 1.0 C2B A:HEM501 4.3 34.3 1.0 C2C A:HEM501 4.3 37.9 1.0 C3B A:HEM501 4.3 35.7 1.0 OG1 A:THR246 4.6 63.8 1.0 CG2 A:THR242 4.6 37.7 1.0 CB A:THR242 4.8 38.9 1.0 N A:LEU355 4.9 42.5 1.0 C A:CYS354 4.9 45.6 1.0 N A:GLY356 5.0 41.9 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.