Iron in PDB 2gr6: Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A)

All present enzymatic activity of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A):
1.14.15.1;

The structure of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A), PDB code: 2gr6 was solved by Z.Rao, L.L.Wong, F.Xu, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 2.30
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	66.664, 62.356, 95.098, 90.00, 90.37, 90.00
R / Rfree (%)	18.7 / 24.4

The structure of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A) also contains other interesting chemical elements:

Potassium

(K)

2 atoms

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A) (pdb code 2gr6). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A), PDB code: 2gr6:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A)


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 P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe417 b:28.2 occ:1.00 FE A:HEM417 0.0 28.2 1.0 NA A:HEM417 2.0 24.5 1.0 NC A:HEM417 2.0 27.4 1.0 NB A:HEM417 2.0 26.4 1.0 ND A:HEM417 2.1 24.8 1.0 SG A:CYS357 2.2 25.4 1.0 O A:HOH1655 2.3 25.9 1.0 C4B A:HEM417 3.0 25.8 1.0 C4A A:HEM417 3.0 24.0 1.0 C4C A:HEM417 3.1 26.7 1.0 C1C A:HEM417 3.1 26.3 1.0 C1D A:HEM417 3.1 23.7 1.0 C1B A:HEM417 3.1 23.1 1.0 C4D A:HEM417 3.1 21.9 1.0 C1A A:HEM417 3.1 22.3 1.0 CB A:CYS357 3.2 30.9 1.0 CHC A:HEM417 3.4 27.2 1.0 CHD A:HEM417 3.5 24.5 1.0 CHB A:HEM417 3.5 24.1 1.0 CHA A:HEM417 3.5 22.6 1.0 CA A:CYS357 4.0 30.4 1.0 C3B A:HEM417 4.3 26.8 1.0 C3D A:HEM417 4.3 21.6 1.0 C2B A:HEM417 4.3 26.2 1.0 C2C A:HEM417 4.3 25.4 1.0 C3A A:HEM417 4.3 22.0 1.0 C2A A:HEM417 4.3 20.2 1.0 C3C A:HEM417 4.3 27.2 1.0 C2D A:HEM417 4.3 23.4 1.0 N A:GLY359 4.5 29.5 1.0 C A:CYS357 4.6 30.8 1.0 N A:LEU358 4.7 29.5 1.0 CA A:GLY359 4.9 30.6 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Cytochrome P450CAM Mutant (F87W/Y96F/L244A/V247L/C334A) within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe417 b:35.2 occ:1.00 FE B:HEM417 0.0 35.2 1.0 NA B:HEM417 2.0 32.3 1.0 NB B:HEM417 2.1 31.5 1.0 NC B:HEM417 2.1 31.8 1.0 ND B:HEM417 2.1 31.4 1.0 SG B:CYS357 2.3 36.6 1.0 O B:HOH2563 2.5 20.9 1.0 C4A B:HEM417 3.0 31.3 1.0 C4B B:HEM417 3.1 30.1 1.0 C1B B:HEM417 3.1 30.8 1.0 C4D B:HEM417 3.1 31.7 1.0 C1D B:HEM417 3.1 33.0 1.0 C1C B:HEM417 3.1 30.5 1.0 C4C B:HEM417 3.1 30.6 1.0 C1A B:HEM417 3.1 31.1 1.0 CB B:CYS357 3.2 31.1 1.0 CHC B:HEM417 3.4 28.8 1.0 CHA B:HEM417 3.5 30.1 1.0 CHB B:HEM417 3.5 31.5 1.0 CHD B:HEM417 3.5 30.6 1.0 CA B:CYS357 3.9 31.7 1.0 O B:HOH2566 4.3 42.0 1.0 C3B B:HEM417 4.3 28.9 1.0 C2A B:HEM417 4.3 31.7 1.0 C2B B:HEM417 4.3 29.5 1.0 C3A B:HEM417 4.3 30.9 1.0 C3D B:HEM417 4.3 31.8 1.0 C2C B:HEM417 4.3 29.4 1.0 C3C B:HEM417 4.3 28.9 1.0 C2D B:HEM417 4.3 32.7 1.0 N B:GLY359 4.5 29.0 1.0 C B:CYS357 4.6 30.0 1.0 N B:LEU358 4.6 30.2 1.0 CA B:GLY359 4.9 28.3 1.0

F.Xu, S.G.Bell, G.Taylor, J.C.Green, Z.Rao, L.L.Wong. Pentachlorobenzene Oxidation By Engineered Cytochrome P450CAM: Substrate Binding and the Mechanism of Aromatic C-H Bond Oxidation To Be Published.