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

Enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, Styrene 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, Styrene 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 F87K in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, Styrene and Hydroxylamine, PDB code: 7wdd 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) 39.72 / 2.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.82, 148.836, 65.336, 90, 100.09, 90
R / Rfree (%) 19.7 / 22.6

Iron Binding Sites:

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, Styrene and Hydroxylamine (pdb code 7wdd). 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, Styrene and Hydroxylamine, PDB code: 7wdd:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7wdd

Go back to Iron Binding Sites List in 7wdd
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, Styrene 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, Styrene and Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:32.2
occ:1.00
FE A:HEM501 0.0 32.2 1.0
ND A:HEM501 2.0 40.4 1.0
NB A:HEM501 2.0 29.1 1.0
NA A:HEM501 2.0 41.1 1.0
NC A:HEM501 2.0 44.8 1.0
SG A:CYS400 2.5 39.4 1.0
N A:HOA502 2.6 44.3 1.0
O A:HOA502 2.9 46.4 1.0
C4D A:HEM501 3.0 38.3 1.0
C4B A:HEM501 3.0 39.6 1.0
C1D A:HEM501 3.0 35.7 1.0
C1A A:HEM501 3.1 34.2 1.0
C1B A:HEM501 3.1 38.1 1.0
C4A A:HEM501 3.1 34.6 1.0
C4C A:HEM501 3.1 39.6 1.0
C1C A:HEM501 3.1 40.4 1.0
CB A:CYS400 3.4 38.7 1.0
CHA A:HEM501 3.4 36.2 1.0
CHD A:HEM501 3.4 39.2 1.0
CHB A:HEM501 3.4 38.4 1.0
CHC A:HEM501 3.4 38.1 1.0
CA A:CYS400 4.1 34.8 1.0
C3D A:HEM501 4.3 35.1 1.0
C2D A:HEM501 4.3 40.5 1.0
C2A A:HEM501 4.3 37.5 1.0
C3B A:HEM501 4.3 36.2 1.0
C3A A:HEM501 4.3 39.4 1.0
C2B A:HEM501 4.3 33.4 1.0
C3C A:HEM501 4.3 38.4 1.0
C2C A:HEM501 4.3 41.5 1.0
O A:ALA264 4.7 41.7 1.0
CB A:ALA264 4.8 48.4 1.0
N2 A:IC6503 4.8 46.5 0.5
OG1 A:THR268 4.9 42.9 1.0
C3 A:IC6503 4.9 47.6 0.5
C A:CYS400 4.9 35.6 1.0

Iron binding site 2 out of 2 in 7wdd

Go back to Iron Binding Sites List in 7wdd
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, Styrene 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, Styrene and Hydroxylamine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:35.4
occ:1.00
FE B:HEM501 0.0 35.4 1.0
NB B:HEM501 2.0 27.3 1.0
NC B:HEM501 2.0 39.2 1.0
NA B:HEM501 2.0 35.7 1.0
ND B:HEM501 2.0 35.6 1.0
N B:HOA502 2.6 44.5 1.0
SG B:CYS400 2.8 45.5 1.0
O B:HOA502 2.9 47.0 1.0
C1B B:HEM501 3.0 34.5 1.0
C4C B:HEM501 3.1 39.4 1.0
C4A B:HEM501 3.1 33.2 1.0
C1A B:HEM501 3.1 35.0 1.0
C1D B:HEM501 3.1 40.0 1.0
C4D B:HEM501 3.1 36.2 1.0
C1C B:HEM501 3.1 41.1 1.0
C4B B:HEM501 3.1 36.6 1.0
CHB B:HEM501 3.4 31.0 1.0
CHD B:HEM501 3.4 41.1 1.0
CHA B:HEM501 3.4 38.0 1.0
CHC B:HEM501 3.4 40.0 1.0
CB B:CYS400 3.5 36.4 1.0
CA B:CYS400 4.2 35.6 1.0
C2B B:HEM501 4.3 28.8 1.0
C2A B:HEM501 4.3 35.3 1.0
C3A B:HEM501 4.3 35.7 1.0
C3D B:HEM501 4.3 40.1 1.0
C3C B:HEM501 4.3 42.5 1.0
C2D B:HEM501 4.3 37.8 1.0
C2C B:HEM501 4.3 43.5 1.0
C3B B:HEM501 4.3 37.2 1.0
O B:ALA264 4.8 43.5 1.0
N2 B:IC6503 4.9 49.0 0.5
CB B:ALA264 4.9 47.7 1.0
C3 B:IC6503 4.9 48.0 0.5
OG1 B:THR268 5.0 36.7 1.0
N B:GLY402 5.0 36.8 1.0
C B:CYS400 5.0 36.4 1.0

Reference:

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.
Page generated: Fri Aug 9 10:05:55 2024

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