Iron in PDB 7ydl: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine, PDB code: 7ydl was solved by S.Dong, J.Chen, Y.Jiang, Z.Cong, Y.Feng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.01 / 1.58
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.41, 148.04, 64.12, 90, 100.1, 90
R / Rfree (%)	17.7 / 20

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine (pdb code 7ydl). 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/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine, PDB code: 7ydl:
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/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-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/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:19.4 occ:1.00 FE A:HEM501 0.0 19.4 1.0 ND A:HEM501 2.0 17.3 1.0 NB A:HEM501 2.0 16.8 1.0 NC A:HEM501 2.0 18.7 1.0 NA A:HEM501 2.1 19.3 1.0 N2 A:IC6502 2.4 31.8 1.0 SG A:CYS400 2.4 20.2 1.0 C1D A:HEM501 3.0 20.9 1.0 C4C A:HEM501 3.0 20.1 1.0 C4B A:HEM501 3.0 19.3 1.0 C1B A:HEM501 3.0 18.6 1.0 C1C A:HEM501 3.1 17.3 1.0 C4D A:HEM501 3.1 21.2 1.0 C4A A:HEM501 3.1 17.2 1.0 C1A A:HEM501 3.1 20.0 1.0 C1 A:IC6502 3.3 35.1 1.0 CB A:CYS400 3.3 17.2 1.0 C3 A:IC6502 3.3 34.7 1.0 CHD A:HEM501 3.4 21.0 1.0 CHC A:HEM501 3.4 18.3 1.0 CHB A:HEM501 3.5 17.6 1.0 CHA A:HEM501 3.5 20.6 1.0 CA A:CYS400 4.1 19.0 1.0 C2D A:HEM501 4.2 20.1 1.0 C3B A:HEM501 4.2 19.7 1.0 C2B A:HEM501 4.2 17.4 1.0 C3C A:HEM501 4.3 20.0 1.0 C3D A:HEM501 4.3 18.7 1.0 C2C A:HEM501 4.3 20.1 1.0 C3A A:HEM501 4.3 17.5 1.0 C2A A:HEM501 4.3 18.9 1.0 N5 A:IC6502 4.5 35.2 1.0 C4 A:IC6502 4.5 35.1 1.0 CB A:ALA264 4.7 22.4 1.0 N A:GLY402 4.8 19.9 1.0 C A:CYS400 4.8 18.5 1.0 N A:ILE401 5.0 20.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-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/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L- Phenylalanine within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:19.7 occ:1.00 FE B:HEM501 0.0 19.7 1.0 NB B:HEM501 2.0 15.9 1.0 ND B:HEM501 2.0 17.6 1.0 NA B:HEM501 2.1 19.0 1.0 NC B:HEM501 2.1 19.1 1.0 SG B:CYS400 2.4 19.5 1.0 N2 B:IC6502 2.4 29.8 1.0 C1B B:HEM501 3.0 19.2 1.0 C1D B:HEM501 3.0 18.2 1.0 C4B B:HEM501 3.0 17.3 1.0 C4A B:HEM501 3.1 17.8 1.0 C4D B:HEM501 3.1 19.1 1.0 C4C B:HEM501 3.1 18.6 1.0 C1A B:HEM501 3.1 19.3 1.0 C1C B:HEM501 3.1 18.2 1.0 C3 B:IC6502 3.2 34.3 1.0 CB B:CYS400 3.3 18.3 1.0 C1 B:IC6502 3.4 32.9 1.0 CHB B:HEM501 3.4 17.1 1.0 CHD B:HEM501 3.4 18.8 1.0 CHC B:HEM501 3.5 17.9 1.0 CHA B:HEM501 3.5 18.2 1.0 CA B:CYS400 4.1 19.1 1.0 C2B B:HEM501 4.2 19.3 1.0 C3B B:HEM501 4.3 19.1 1.0 C2D B:HEM501 4.3 17.9 1.0 C3D B:HEM501 4.3 18.2 1.0 C3A B:HEM501 4.3 18.8 1.0 C3C B:HEM501 4.3 19.1 1.0 C2A B:HEM501 4.3 19.7 1.0 C2C B:HEM501 4.3 19.5 1.0 C4 B:IC6502 4.4 33.0 1.0 N5 B:IC6502 4.4 34.0 1.0 CB B:ALA264 4.7 22.6 1.0 N B:GLY402 4.8 20.0 1.0 C B:CYS400 4.8 18.8 1.0 N B:ILE401 5.0 18.7 1.0

S.Dong, J.Chen, Y.Jiang, Z.Cong, Y.Feng. Crystal Structure of the P450 BM3 Heme Domain Mutant F87A/T268I/A184V/A82T in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine To Be Published.