Iron in PDB 7wdi: Crystal Structure of the P450 BM3 Heme Domain Mutant F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine, PDB code: 7wdi 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)	29.25 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.413, 149.017, 65.281, 90, 100.35, 90
R / Rfree (%)	18.4 / 21.9

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine (pdb code 7wdi). 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 F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine, PDB code: 7wdi:
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 F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine


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 F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:19.6 occ:1.00 FE A:HEM501 0.0 19.6 1.0 NB A:HEM501 2.0 18.8 1.0 NC A:HEM501 2.0 21.5 1.0 ND A:HEM501 2.1 20.9 1.0 NA A:HEM501 2.1 17.3 1.0 N A:HOA504 2.6 21.6 1.0 SG A:CYS400 2.6 19.6 1.0 O A:HOA504 2.9 23.8 1.0 C4B A:HEM501 3.0 22.7 1.0 C1C A:HEM501 3.0 19.5 1.0 C1B A:HEM501 3.1 19.3 1.0 C4C A:HEM501 3.1 19.7 1.0 C4A A:HEM501 3.1 20.9 1.0 C1D A:HEM501 3.1 18.8 1.0 C4D A:HEM501 3.1 18.5 1.0 C1A A:HEM501 3.1 20.8 1.0 CB A:CYS400 3.4 21.0 1.0 CHC A:HEM501 3.4 17.7 1.0 CHB A:HEM501 3.4 16.1 1.0 CHD A:HEM501 3.4 19.1 1.0 CHA A:HEM501 3.5 19.6 1.0 CA A:CYS400 4.2 18.5 1.0 C3B A:HEM501 4.2 20.1 1.0 C2C A:HEM501 4.2 21.3 1.0 C2B A:HEM501 4.3 16.9 1.0 C3C A:HEM501 4.3 22.9 1.0 C3A A:HEM501 4.3 19.2 1.0 C2D A:HEM501 4.3 22.8 1.0 C3D A:HEM501 4.3 19.8 1.0 C2A A:HEM501 4.3 20.7 1.0 O A:ALA264 4.6 28.7 1.0 N2 A:IC6502 4.6 21.1 0.5 C3 A:IC6502 4.8 19.9 0.5 OG1 A:THR268 4.9 22.8 1.0 CB A:ALA264 4.9 27.5 1.0 C A:CYS400 4.9 19.9 1.0 N A:GLY402 5.0 19.8 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine


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 F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:22.5 occ:1.00 FE B:HEM501 0.0 22.5 1.0 NB B:HEM501 2.0 19.7 1.0 NC B:HEM501 2.0 19.7 1.0 NA B:HEM501 2.1 19.2 1.0 ND B:HEM501 2.1 21.1 1.0 N B:HOA504 2.5 25.2 1.0 SG B:CYS400 2.6 23.5 1.0 O B:HOA504 2.8 23.8 1.0 C4B B:HEM501 3.0 19.7 1.0 C1C B:HEM501 3.1 24.2 1.0 C1B B:HEM501 3.1 18.7 1.0 C4C B:HEM501 3.1 21.2 1.0 C4A B:HEM501 3.1 22.4 1.0 C1D B:HEM501 3.1 21.6 1.0 C1A B:HEM501 3.1 22.7 1.0 C4D B:HEM501 3.1 20.6 1.0 CHC B:HEM501 3.4 20.0 1.0 CB B:CYS400 3.4 22.4 1.0 CHB B:HEM501 3.4 18.2 1.0 CHD B:HEM501 3.4 20.9 1.0 CHA B:HEM501 3.5 22.7 1.0 CA B:CYS400 4.2 20.9 1.0 C3B B:HEM501 4.3 20.0 1.0 C2B B:HEM501 4.3 19.8 1.0 C2C B:HEM501 4.3 24.1 1.0 C3C B:HEM501 4.3 25.7 1.0 C3A B:HEM501 4.3 19.2 1.0 C2A B:HEM501 4.3 24.2 1.0 C2D B:HEM501 4.3 23.7 1.0 C3D B:HEM501 4.3 23.1 1.0 N2 B:IC6502 4.5 22.0 0.5 O B:ALA264 4.5 31.9 1.0 C3 B:IC6502 4.8 22.4 0.5 CB B:ALA264 4.8 28.4 1.0 OG1 B:THR268 4.9 23.5 1.0 N B:GLY402 5.0 21.3 1.0 C B:CYS400 5.0 21.4 1.0

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