Iron in PDB 7y0t: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine, PDB code: 7y0t 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)	38.90 / 1.89
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	57.483, 144.354, 63.236, 90, 100.34, 90
R / Rfree (%)	16.8 / 19.8

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine (pdb code 7y0t). 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 N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine, PDB code: 7y0t:
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 N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine


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 N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:25.9 occ:1.00 FE B:HEM501 0.0 25.9 1.0 NA B:HEM501 2.0 25.4 1.0 ND B:HEM501 2.0 24.2 1.0 NB B:HEM501 2.0 24.7 1.0 NC B:HEM501 2.0 27.1 1.0 O B:HOH611 2.4 29.1 0.6 SG B:CYS400 2.4 27.0 1.0 C4A B:HEM501 3.0 24.6 1.0 C4C B:HEM501 3.0 25.3 1.0 C1B B:HEM501 3.0 23.5 1.0 C1D B:HEM501 3.0 25.9 1.0 C1A B:HEM501 3.0 24.0 1.0 C4D B:HEM501 3.0 24.5 1.0 C4B B:HEM501 3.1 25.9 1.0 C1C B:HEM501 3.1 24.5 1.0 CB B:CYS400 3.3 23.0 1.0 CHB B:HEM501 3.3 23.3 1.0 CHD B:HEM501 3.3 27.7 1.0 CHA B:HEM501 3.4 27.1 1.0 CHC B:HEM501 3.5 23.1 1.0 CA B:CYS400 3.9 24.5 1.0 O B:ALA264 4.1 31.6 1.0 C3A B:HEM501 4.2 22.7 1.0 C2A B:HEM501 4.2 22.0 1.0 C2B B:HEM501 4.2 24.0 1.0 C3C B:HEM501 4.2 23.2 1.0 C2D B:HEM501 4.2 24.4 1.0 C3D B:HEM501 4.2 23.1 1.0 C3B B:HEM501 4.3 23.9 1.0 C2C B:HEM501 4.3 25.6 1.0 CB B:ALA264 4.4 31.9 1.0 N34 C:I7X1 4.5 40.8 1.0 N B:GLY402 4.6 23.3 1.0 C B:CYS400 4.7 27.6 1.0 C B:ALA264 4.7 27.2 1.0 C33 C:I7X1 4.7 39.5 1.0 N B:ILE401 4.9 23.2 1.0 CA B:GLY402 5.0 24.9 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine


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 N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:25.0 occ:1.00 FE A:HEM501 0.0 25.0 1.0 ND A:HEM501 2.0 25.3 1.0 NB A:HEM501 2.0 26.3 1.0 NC A:HEM501 2.0 25.6 1.0 NA A:HEM501 2.0 28.1 1.0 SG A:CYS400 2.3 25.0 1.0 O A:HOH621 2.4 36.4 1.0 C4B A:HEM501 3.0 28.4 1.0 C1C A:HEM501 3.0 24.3 1.0 C1D A:HEM501 3.0 23.2 1.0 C4D A:HEM501 3.0 25.8 1.0 C4C A:HEM501 3.0 23.5 1.0 C1B A:HEM501 3.0 25.2 1.0 C1A A:HEM501 3.0 26.8 1.0 C4A A:HEM501 3.1 24.0 1.0 CB A:CYS400 3.2 20.9 1.0 CHC A:HEM501 3.4 25.4 1.0 CHA A:HEM501 3.4 24.0 1.0 CHD A:HEM501 3.4 25.0 1.0 CHB A:HEM501 3.4 24.2 1.0 CA A:CYS400 3.9 23.9 1.0 O A:ALA264 4.1 29.2 1.0 C3B A:HEM501 4.2 26.2 1.0 C2D A:HEM501 4.2 22.5 1.0 C3D A:HEM501 4.2 22.2 1.0 C2C A:HEM501 4.2 25.8 1.0 C3C A:HEM501 4.2 23.7 1.0 C2B A:HEM501 4.2 24.7 1.0 C2A A:HEM501 4.3 25.3 1.0 C3A A:HEM501 4.3 22.5 1.0 CB A:ALA264 4.4 27.4 1.0 N34 D:I7X1 4.5 37.4 1.0 C A:CYS400 4.6 26.5 1.0 N A:GLY402 4.7 23.2 1.0 C A:ALA264 4.7 29.1 1.0 C33 D:I7X1 4.8 37.2 1.0 N A:ILE401 4.8 23.1 1.0

Y.Jiang, S.Dong, Y.Feng, Z.Cong. Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanyl-L-Phenylalanine To Be Published.