Iron in PDB 8hot: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with NH2-C7-Phe-Phe

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with NH2-C7-Phe-Phe:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with NH2-C7-Phe-Phe, PDB code: 8hot 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)	29.28 / 1.96
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.723, 146.446, 63.35, 90, 97.48, 90
R / Rfree (%)	21.1 / 22.9

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with NH2-C7-Phe-Phe (pdb code 8hot). 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 in Complex with NH2-C7-Phe-Phe, PDB code: 8hot:
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 in Complex with NH2-C7-Phe-Phe


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 in Complex with NH2-C7-Phe-Phe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.9 occ:1.00 FE A:HEM501 0.0 17.9 1.0 NB A:HEM501 2.0 15.3 1.0 ND A:HEM501 2.0 13.8 1.0 NA A:HEM501 2.1 18.7 1.0 NC A:HEM501 2.1 21.5 1.0 O C:HOH102 2.6 28.2 1.0 SG A:CYS400 2.8 19.7 1.0 C1D A:HEM501 3.0 22.7 1.0 C1B A:HEM501 3.0 21.4 1.0 C4A A:HEM501 3.1 19.3 1.0 C4C A:HEM501 3.1 22.0 1.0 C4B A:HEM501 3.1 17.3 1.0 C4D A:HEM501 3.1 17.4 1.0 C1A A:HEM501 3.1 15.3 1.0 C1C A:HEM501 3.1 21.3 1.0 CHD A:HEM501 3.4 21.2 1.0 CHB A:HEM501 3.4 19.2 1.0 CB A:CYS400 3.4 21.3 1.0 CHA A:HEM501 3.4 19.6 1.0 CHC A:HEM501 3.5 21.6 1.0 CA A:CYS400 4.1 20.8 1.0 C2D A:HEM501 4.3 20.5 1.0 C2B A:HEM501 4.3 13.7 1.0 C3B A:HEM501 4.3 18.2 1.0 C3D A:HEM501 4.3 17.1 1.0 C3A A:HEM501 4.3 19.9 1.0 C2A A:HEM501 4.3 16.9 1.0 C3C A:HEM501 4.3 22.4 1.0 C2C A:HEM501 4.3 27.9 1.0 CB A:ALA264 4.7 28.3 1.0 O A:ALA264 4.8 38.9 1.0 C A:CYS400 5.0 22.3 1.0 N C:0111 5.0 39.3 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with NH2-C7-Phe-Phe


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 in Complex with NH2-C7-Phe-Phe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:16.4 occ:1.00 FE B:HEM501 0.0 16.4 1.0 ND B:HEM501 2.0 15.3 1.0 NA B:HEM501 2.0 17.0 1.0 NB B:HEM501 2.0 16.5 1.0 NC B:HEM501 2.1 19.4 1.0 O B:HOH893 2.6 24.9 1.0 SG B:CYS400 2.8 19.3 1.0 C4D B:HEM501 3.0 19.3 1.0 C1D B:HEM501 3.0 20.4 1.0 C1A B:HEM501 3.0 18.6 1.0 C4C B:HEM501 3.1 21.4 1.0 C4B B:HEM501 3.1 20.3 1.0 C1C B:HEM501 3.1 21.0 1.0 C4A B:HEM501 3.1 19.3 1.0 C1B B:HEM501 3.1 22.4 1.0 CB B:CYS400 3.4 18.1 1.0 CHA B:HEM501 3.4 15.1 1.0 CHD B:HEM501 3.4 19.2 1.0 CHC B:HEM501 3.4 21.3 1.0 CHB B:HEM501 3.5 18.6 1.0 CA B:CYS400 4.1 15.2 1.0 O B:HOH980 4.2 34.1 1.0 C3D B:HEM501 4.2 12.9 1.0 C2D B:HEM501 4.2 19.0 1.0 C2A B:HEM501 4.3 13.4 1.0 C3C B:HEM501 4.3 21.6 1.0 C2C B:HEM501 4.3 22.9 1.0 C3B B:HEM501 4.3 20.6 1.0 C3A B:HEM501 4.3 16.8 1.0 C2B B:HEM501 4.3 18.5 1.0 CB B:ALA264 4.7 28.4 1.0 O B:ALA264 4.8 29.2 1.0 C B:CYS400 4.9 16.0 1.0

Y.Jiang, S.Dong, Y.Feng, Z.Cong. Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with NH2-C7-Phe-Phe To Be Published.