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

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A 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 F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine, PDB code: 7yjd 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)	28.81 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.516, 148.063, 64.758, 90, 100.09, 90
R / Rfree (%)	18.5 / 21.2

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-Phenylalanine and Hydroxylamine (pdb code 7yjd). 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-Phenylalanine and Hydroxylamine, PDB code: 7yjd:
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-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 F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.7 occ:1.00 FE A:HEM501 0.0 10.7 1.0 ND A:HEM501 2.0 6.8 1.0 NA A:HEM501 2.0 9.2 1.0 NB A:HEM501 2.0 6.8 1.0 NC A:HEM501 2.1 12.8 1.0 N A:HOA502 2.5 16.2 1.0 SG A:CYS400 2.6 12.5 1.0 O A:HOA502 3.0 27.0 1.0 C4C A:HEM501 3.1 14.8 1.0 C1B A:HEM501 3.1 12.2 1.0 C1D A:HEM501 3.1 10.6 1.0 C4A A:HEM501 3.1 12.2 1.0 C1C A:HEM501 3.1 9.9 1.0 C4D A:HEM501 3.1 12.4 1.0 C1A A:HEM501 3.1 12.2 1.0 C4B A:HEM501 3.1 14.3 1.0 CHD A:HEM501 3.4 13.1 1.0 CB A:CYS400 3.4 8.3 1.0 CHB A:HEM501 3.4 9.1 1.0 CHC A:HEM501 3.4 10.5 1.0 CHA A:HEM501 3.4 9.8 1.0 CA A:CYS400 4.2 10.1 1.0 C3C A:HEM501 4.3 16.0 1.0 C2D A:HEM501 4.3 11.8 1.0 C2C A:HEM501 4.3 17.1 1.0 C3A A:HEM501 4.3 8.3 1.0 C3D A:HEM501 4.3 13.0 1.0 C2B A:HEM501 4.3 12.0 1.0 C2A A:HEM501 4.3 10.4 1.0 C3B A:HEM501 4.3 11.2 1.0 O A:ALA264 4.3 40.9 1.0 N2 A:IC6503 4.6 10.4 0.5 CB A:ALA264 4.8 32.2 1.0 C3 A:IC6503 4.8 13.7 0.5 C A:CYS400 5.0 12.2 1.0 N A:GLY402 5.0 12.6 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-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 F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine and Hydroxylamine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:12.7 occ:1.00 FE B:HEM501 0.0 12.7 1.0 ND B:HEM501 2.0 10.4 1.0 NC B:HEM501 2.0 11.0 1.0 NB B:HEM501 2.0 10.8 1.0 NA B:HEM501 2.1 11.3 1.0 N B:HOA502 2.5 18.9 1.0 SG B:CYS400 2.6 12.4 1.0 O B:HOA502 2.8 24.4 1.0 C1C B:HEM501 3.0 15.4 1.0 C4B B:HEM501 3.1 12.9 1.0 C4D B:HEM501 3.1 16.4 1.0 C4C B:HEM501 3.1 12.7 1.0 C1D B:HEM501 3.1 14.9 1.0 C1B B:HEM501 3.1 14.7 1.0 C4A B:HEM501 3.1 12.2 1.0 C1A B:HEM501 3.1 11.5 1.0 CB B:CYS400 3.4 9.8 1.0 CHC B:HEM501 3.4 11.5 1.0 CHD B:HEM501 3.4 13.0 1.0 CHA B:HEM501 3.4 13.0 1.0 CHB B:HEM501 3.4 12.1 1.0 CA B:CYS400 4.1 12.0 1.0 C2C B:HEM501 4.3 16.2 1.0 C3C B:HEM501 4.3 18.3 1.0 C3D B:HEM501 4.3 14.5 1.0 C3B B:HEM501 4.3 12.3 1.0 C2D B:HEM501 4.3 14.6 1.0 C2B B:HEM501 4.3 10.4 1.0 C3A B:HEM501 4.3 9.3 1.0 C2A B:HEM501 4.3 10.0 1.0 O B:ALA264 4.4 47.0 1.0 N2 B:IC6503 4.6 11.7 0.5 C3 B:IC6503 4.8 11.4 0.5 CB B:ALA264 4.8 22.6 1.0 C B:CYS400 4.9 13.3 1.0 N B:GLY402 5.0 12.6 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-Phenylalanine and Hydroxylamine To Be Published.