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Iron in PDB 7y0s: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Tyrosyl-L-Tyrosine and Hydroxylamine

Enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Tyrosyl-L-Tyrosine and Hydroxylamine

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Tyrosyl-L-Tyrosine 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 F87A in Complex with N-Imidazolyl-Hexanoyl-L-Tyrosyl-L-Tyrosine and Hydroxylamine, PDB code: 7y0s 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) 52.66 / 2.06
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 57.432, 143.775, 63.043, 90, 99.83, 90
R / Rfree (%) 22.3 / 22.8

Iron Binding Sites:

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-Tyrosyl-L-Tyrosine and Hydroxylamine (pdb code 7y0s). 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-Tyrosyl-L-Tyrosine and Hydroxylamine, PDB code: 7y0s:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7y0s

Go back to Iron Binding Sites List in 7y0s
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-Tyrosyl-L-Tyrosine 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-Tyrosyl-L-Tyrosine and Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:31.3
occ:1.00
FE B:HEM501 0.0 31.3 1.0
ND B:HEM501 2.0 28.6 1.0
NA B:HEM501 2.0 33.0 1.0
NB B:HEM501 2.1 32.3 1.0
NC B:HEM501 2.1 33.9 1.0
SG B:CYS400 2.6 32.4 1.0
N B:HOA502 2.6 37.9 1.0
O B:HOA502 2.9 46.0 1.0
C1D B:HEM501 3.0 32.0 1.0
C4D B:HEM501 3.0 28.4 1.0
C1A B:HEM501 3.1 33.0 1.0
C1B B:HEM501 3.1 32.8 1.0
C4C B:HEM501 3.1 31.8 1.0
C4A B:HEM501 3.1 30.7 1.0
C4B B:HEM501 3.1 32.2 1.0
C1C B:HEM501 3.1 32.1 1.0
CB B:CYS400 3.3 25.4 1.0
CHD B:HEM501 3.4 31.2 1.0
CHA B:HEM501 3.4 27.4 1.0
CHB B:HEM501 3.4 30.0 1.0
CHC B:HEM501 3.5 27.1 1.0
CA B:CYS400 4.0 28.9 1.0
C2D B:HEM501 4.2 33.7 1.0
C3D B:HEM501 4.2 33.0 1.0
C2A B:HEM501 4.3 30.2 1.0
C3A B:HEM501 4.3 25.8 1.0
C2B B:HEM501 4.3 31.1 1.0
C3C B:HEM501 4.3 33.0 1.0
C3B B:HEM501 4.3 27.6 1.0
C2C B:HEM501 4.3 36.0 1.0
O B:ALA264 4.6 50.9 1.0
C33 C:I7X1 4.6 36.9 1.0
N34 C:I7X1 4.6 41.6 1.0
CB B:ALA264 4.7 42.8 1.0
OG1 B:THR268 4.8 40.7 1.0
C B:CYS400 4.8 26.8 1.0
N B:GLY402 4.8 30.0 1.0
CD1 B:PHE393 5.0 29.2 1.0

Iron binding site 2 out of 2 in 7y0s

Go back to Iron Binding Sites List in 7y0s
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-Tyrosyl-L-Tyrosine 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-Tyrosyl-L-Tyrosine and Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:30.3
occ:1.00
FE A:HEM501 0.0 30.3 1.0
ND A:HEM501 2.0 32.2 1.0
NC A:HEM501 2.0 31.6 1.0
NB A:HEM501 2.0 30.5 1.0
NA A:HEM501 2.1 30.8 1.0
N A:HOA502 2.4 38.6 1.0
SG A:CYS400 2.6 32.3 1.0
O A:HOA502 2.9 44.3 1.0
C4D A:HEM501 3.0 29.5 1.0
C1C A:HEM501 3.0 32.6 1.0
C1D A:HEM501 3.0 31.4 1.0
C4B A:HEM501 3.0 28.2 1.0
C4C A:HEM501 3.1 28.4 1.0
C1A A:HEM501 3.1 31.5 1.0
C1B A:HEM501 3.1 34.9 1.0
C4A A:HEM501 3.1 32.8 1.0
CB A:CYS400 3.3 30.4 1.0
CHC A:HEM501 3.4 30.9 1.0
CHA A:HEM501 3.4 29.3 1.0
CHD A:HEM501 3.4 30.6 1.0
CHB A:HEM501 3.5 33.8 1.0
CA A:CYS400 4.0 24.1 1.0
C3D A:HEM501 4.2 29.8 1.0
C2D A:HEM501 4.2 34.7 1.0
C2C A:HEM501 4.3 34.5 1.0
C3C A:HEM501 4.3 28.8 1.0
C3B A:HEM501 4.3 29.6 1.0
C2B A:HEM501 4.3 24.7 1.0
C2A A:HEM501 4.3 29.6 1.0
C3A A:HEM501 4.3 27.9 1.0
C33 D:I7X1 4.5 51.0 1.0
N34 D:I7X1 4.5 48.9 1.0
CB A:ALA264 4.7 44.3 1.0
C A:CYS400 4.8 26.5 1.0
N A:GLY402 4.9 27.2 1.0
O A:ALA264 4.9 50.0 1.0
OG1 A:THR268 4.9 38.7 1.0

Reference:

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-Tyrosyl-L-Tyrosine and Hydroxylamine To Be Published.
Page generated: Thu Aug 7 10:12:31 2025

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