Iron in PDB 8hou: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A-T268V in Complex with Im-N-C4-Phe-Phe

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A-T268V in Complex with Im-N-C4-Phe-Phe:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A-T268V in Complex with Im-N-C4-Phe-Phe, PDB code: 8hou 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)	57.70 / 1.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.592, 147.608, 64.764, 90, 100.03, 90
R / Rfree (%)	18.7 / 20.9

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A-T268V in Complex with Im-N-C4-Phe-Phe (pdb code 8hou). 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 in Complex with Im-N-C4-Phe-Phe, PDB code: 8hou:
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 in Complex with Im-N-C4-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-T268V in Complex with Im-N-C4-Phe-Phe within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:17.4 occ:1.00 FE A:HEM501 0.0 17.4 1.0 ND A:HEM501 2.0 14.3 1.0 NC A:HEM501 2.0 15.6 1.0 NB A:HEM501 2.0 15.1 1.0 NA A:HEM501 2.0 15.3 1.0 O A:HOH628 2.3 19.1 1.0 SG A:CYS400 2.5 16.1 1.0 C1D A:HEM501 3.0 18.2 1.0 C4C A:HEM501 3.0 15.4 1.0 C1B A:HEM501 3.0 16.6 1.0 C4D A:HEM501 3.1 17.4 1.0 C4A A:HEM501 3.1 16.5 1.0 C4B A:HEM501 3.1 14.8 1.0 C1C A:HEM501 3.1 17.0 1.0 C1A A:HEM501 3.1 17.6 1.0 CHD A:HEM501 3.4 17.8 1.0 CHB A:HEM501 3.4 17.1 1.0 CHC A:HEM501 3.4 16.0 1.0 CHA A:HEM501 3.4 16.5 1.0 CB A:CYS400 3.4 13.9 1.0 CA A:CYS400 4.2 14.2 1.0 C2D A:HEM501 4.3 18.3 1.0 C3D A:HEM501 4.3 17.3 1.0 C2B A:HEM501 4.3 15.4 1.0 C3C A:HEM501 4.3 14.7 1.0 C3A A:HEM501 4.3 12.8 1.0 C2C A:HEM501 4.3 18.2 1.0 C3B A:HEM501 4.3 14.3 1.0 C2A A:HEM501 4.3 15.3 1.0 N32 C:LXO1 4.3 21.7 1.0 O A:ALA264 4.5 21.6 1.0 C31 C:LXO1 4.8 21.5 1.0 N A:GLY402 4.9 18.2 1.0 C A:CYS400 4.9 16.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A-T268V in Complex with Im-N-C4-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-T268V in Complex with Im-N-C4-Phe-Phe within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:17.1 occ:1.00 FE B:HEM501 0.0 17.1 1.0 NB B:HEM501 2.0 15.2 1.0 ND B:HEM501 2.0 16.3 1.0 NC B:HEM501 2.0 15.9 1.0 NA B:HEM501 2.0 16.2 1.0 O B:HOH640 2.3 17.9 1.0 SG B:CYS400 2.5 17.3 1.0 C4A B:HEM501 3.0 15.3 1.0 C1B B:HEM501 3.0 17.7 1.0 C1D B:HEM501 3.0 17.1 1.0 C4C B:HEM501 3.0 17.2 1.0 C4B B:HEM501 3.1 15.0 1.0 C1C B:HEM501 3.1 16.2 1.0 C4D B:HEM501 3.1 17.7 1.0 C1A B:HEM501 3.1 18.5 1.0 CHB B:HEM501 3.4 16.9 1.0 CHD B:HEM501 3.4 16.5 1.0 CB B:CYS400 3.4 15.4 1.0 CHC B:HEM501 3.4 15.7 1.0 CHA B:HEM501 3.5 15.6 1.0 CA B:CYS400 4.1 15.2 1.0 C2B B:HEM501 4.3 14.7 1.0 C2D B:HEM501 4.3 16.1 1.0 C3A B:HEM501 4.3 16.1 1.0 C3B B:HEM501 4.3 15.1 1.0 C3C B:HEM501 4.3 16.3 1.0 C3D B:HEM501 4.3 17.9 1.0 C2C B:HEM501 4.3 18.1 1.0 C2A B:HEM501 4.3 17.2 1.0 N32 D:LXO1 4.4 18.9 1.0 O B:ALA264 4.5 22.7 1.0 C31 D:LXO1 4.8 21.3 1.0 N B:GLY402 4.9 17.3 1.0 C B:CYS400 4.9 16.8 1.0

Y.Jiang, S.Dong, Y.Feng, Z.Cong. Crystal Structure of the P450 BM3 Heme Domain Mutant F87A-T268V in Complex with Im-N-C4-Phe-Phe To Be Published.