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Iron in PDB 7y0r: Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine

Enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine:
1.14.14.1; 1.6.2.4;

Protein crystallography data

The structure of Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine, PDB code: 7y0r 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) 39.71 / 2.09
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 59.034, 149.907, 65.763, 90, 100.58, 90
R / Rfree (%) 21.4 / 24.1

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine (pdb code 7y0r). 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 F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine, PDB code: 7y0r:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7y0r

Go back to Iron Binding Sites List in 7y0r
Iron binding site 1 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine 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 F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:17.8
occ:1.00
FE A:HEM501 0.0 17.8 1.0
NB A:HEM501 2.0 19.0 1.0
NC A:HEM501 2.0 20.3 1.0
ND A:HEM501 2.1 15.2 1.0
NA A:HEM501 2.1 16.8 1.0
SG A:CYS400 2.3 20.9 1.0
N A:HOA502 2.6 25.3 1.0
O A:HOA502 2.9 28.6 1.0
C4C A:HEM501 3.0 16.7 1.0
C1B A:HEM501 3.0 20.1 1.0
C4B A:HEM501 3.0 19.9 1.0
C1D A:HEM501 3.1 22.7 1.0
C1C A:HEM501 3.1 20.3 1.0
C4A A:HEM501 3.1 18.8 1.0
C4D A:HEM501 3.1 18.4 1.0
C1A A:HEM501 3.1 16.6 1.0
CB A:CYS400 3.3 17.4 1.0
CHD A:HEM501 3.4 19.8 1.0
CHB A:HEM501 3.4 17.5 1.0
CHC A:HEM501 3.4 17.9 1.0
CHA A:HEM501 3.5 17.9 1.0
CA A:CYS400 4.2 19.3 1.0
C3C A:HEM501 4.3 21.8 1.0
C3B A:HEM501 4.3 20.4 1.0
C2B A:HEM501 4.3 20.5 1.0
C2C A:HEM501 4.3 19.4 1.0
C2D A:HEM501 4.3 20.7 1.0
C3A A:HEM501 4.3 17.1 1.0
C3D A:HEM501 4.3 17.6 1.0
C2A A:HEM501 4.3 19.0 1.0
N2 A:IC6503 4.6 21.1 0.5
C3 A:IC6503 4.8 21.0 0.5
O A:ALA264 4.9 24.4 1.0
C A:CYS400 4.9 18.5 1.0
N A:GLY402 5.0 20.0 1.0
OG1 A:THR268 5.0 20.6 1.0

Iron binding site 2 out of 2 in 7y0r

Go back to Iron Binding Sites List in 7y0r
Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine 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 F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:20.7
occ:1.00
FE B:HEM501 0.0 20.7 1.0
ND B:HEM501 2.0 19.0 1.0
NA B:HEM501 2.0 21.1 1.0
NB B:HEM501 2.0 19.7 1.0
NC B:HEM501 2.1 18.5 1.0
N B:HOA502 2.2 23.2 1.0
SG B:CYS400 2.6 20.3 1.0
C4A B:HEM501 3.0 22.6 1.0
C4D B:HEM501 3.0 22.5 1.0
C1D B:HEM501 3.0 22.1 1.0
C1B B:HEM501 3.1 21.8 1.0
C1A B:HEM501 3.1 22.3 1.0
C4B B:HEM501 3.1 19.9 1.0
C4C B:HEM501 3.1 19.5 1.0
C1C B:HEM501 3.1 16.8 1.0
O B:HOA502 3.1 28.2 1.0
CB B:CYS400 3.4 18.9 1.0
CHB B:HEM501 3.4 21.1 1.0
CHA B:HEM501 3.4 23.0 1.0
CHD B:HEM501 3.4 18.9 1.0
CHC B:HEM501 3.5 17.5 1.0
CA B:CYS400 4.2 20.9 1.0
C3D B:HEM501 4.3 24.8 1.0
C3A B:HEM501 4.3 22.2 1.0
C2D B:HEM501 4.3 26.5 1.0
C2A B:HEM501 4.3 24.8 1.0
C2B B:HEM501 4.3 20.9 1.0
C3B B:HEM501 4.3 21.5 1.0
C3C B:HEM501 4.3 21.0 1.0
C2C B:HEM501 4.3 22.0 1.0
N2 B:IC6503 4.5 25.7 0.5
C3 B:IC6503 4.7 23.9 0.5
O B:ALA264 4.8 22.3 1.0
C B:CYS400 4.9 22.9 1.0

Reference:

Y.Jiang, S.Dong, Y.Feng, Z.Cong. Crystal Structure of the P450 BM3 Heme Domain Mutant F87L/V78S/A184V in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, P-Toluidine and Hydroxylamine To Be Published.
Page generated: Fri Aug 9 11:10:08 2024

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