Iron in PDB 7y0q: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine, PDB code: 7y0q was solved by Y.Jiang, S.Dong, Y.Feng, Z.Cong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.07 / 2.31
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.909, 148.689, 64.534, 90, 99.5, 90
R / Rfree (%)	22.3 / 26.2

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine (pdb code 7y0q). 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 the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine, PDB code: 7y0q:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine


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 P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:31.8 occ:1.00 FE A:HEM501 0.0 31.8 1.0 ND A:HEM501 2.0 29.4 1.0 NC A:HEM501 2.0 26.7 1.0 NA A:HEM501 2.1 30.7 1.0 NB A:HEM501 2.1 24.4 1.0 SG A:CYS400 2.5 31.7 1.0 N1 A:4MN502 2.6 29.4 0.7 C1D A:HEM501 3.0 26.1 1.0 C4C A:HEM501 3.0 30.6 1.0 C4D A:HEM501 3.0 32.6 1.0 C1C A:HEM501 3.1 25.4 1.0 C4A A:HEM501 3.1 28.1 1.0 C1A A:HEM501 3.1 26.4 1.0 C1B A:HEM501 3.1 29.7 1.0 C4B A:HEM501 3.1 30.2 1.0 C5 A:4MN502 3.3 31.9 0.7 CB A:CYS400 3.3 29.0 1.0 CHD A:HEM501 3.4 29.2 1.0 CHA A:HEM501 3.4 24.1 1.0 CHC A:HEM501 3.5 29.4 1.0 CHB A:HEM501 3.5 28.8 1.0 C6 A:4MN502 3.5 36.0 0.7 CA A:CYS400 4.1 31.3 1.0 C2D A:HEM501 4.2 30.3 1.0 C3D A:HEM501 4.2 31.6 1.0 C3C A:HEM501 4.3 36.3 1.0 C2C A:HEM501 4.3 40.5 1.0 C3A A:HEM501 4.3 31.1 1.0 C2A A:HEM501 4.3 33.8 1.0 C4 A:4MN502 4.3 35.0 0.7 C2B A:HEM501 4.3 30.9 1.0 C3B A:HEM501 4.3 33.5 1.0 C7 A:4MN502 4.7 33.7 0.7 N A:GLY402 4.9 35.7 1.0 C A:CYS400 4.9 25.5 1.0 CB A:ALA264 5.0 40.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine


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 the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:32.6 occ:1.00 FE B:HEM501 0.0 32.6 1.0 ND B:HEM501 2.0 27.8 1.0 NC B:HEM501 2.0 29.3 1.0 NB B:HEM501 2.1 27.1 1.0 NA B:HEM501 2.1 29.6 1.0 SG B:CYS400 2.5 32.0 1.0 N1 B:4MN502 2.6 31.5 1.0 C1D B:HEM501 3.0 28.4 1.0 C4D B:HEM501 3.0 27.2 1.0 C4C B:HEM501 3.1 29.3 1.0 C1C B:HEM501 3.1 32.3 1.0 C4B B:HEM501 3.1 35.8 1.0 C1A B:HEM501 3.1 25.8 1.0 C4A B:HEM501 3.1 25.2 1.0 C1B B:HEM501 3.1 29.4 1.0 C5 B:4MN502 3.3 35.6 1.0 CB B:CYS400 3.3 34.6 1.0 CHD B:HEM501 3.4 28.0 1.0 CHC B:HEM501 3.4 30.7 1.0 CHA B:HEM501 3.4 29.6 1.0 CHB B:HEM501 3.5 27.7 1.0 C4 B:4MN502 3.8 38.1 1.0 C6 B:4MN502 4.1 40.6 1.0 CA B:CYS400 4.1 31.8 1.0 C3D B:HEM501 4.3 30.6 1.0 C2D B:HEM501 4.3 32.5 1.0 C2C B:HEM501 4.3 37.1 1.0 C3C B:HEM501 4.3 33.6 1.0 C2A B:HEM501 4.3 31.5 1.0 C3B B:HEM501 4.3 38.2 1.0 C3A B:HEM501 4.3 28.5 1.0 C2B B:HEM501 4.3 30.4 1.0 C B:CYS400 4.9 27.6 1.0 N B:GLY402 4.9 36.8 1.0 C3 B:4MN502 4.9 35.5 1.0

Y.Jiang, S.Dong, Y.Feng, Z.Cong. Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268V/A82T/I263L in Complex with P-Toluidine To Be Published.