Iron in PDB 7wde: Crystal Structure of the P450 BM3 Heme Domain Mutant F87L in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, Styrene and Hydroxylamine

Enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87L 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 F87L 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 F87L in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, Styrene and Hydroxylamine, PDB code: 7wde 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) 47.01 / 2.11
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.891, 147.955, 64.581, 90, 99.67, 90
R / Rfree (%) 19.6 / 23.5

Iron Binding Sites:

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

Iron binding site 1 out of 2 in 7wde

Go back to Iron Binding Sites List in 7wde
Iron binding site 1 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87L 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 F87L 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:33.5
occ:1.00
 FE A:HEM501 0.0 33.5 1.0
NA A:HEM501 2.0 31.3 1.0
NC A:HEM501 2.0 32.5 1.0
NB A:HEM501 2.1 25.1 1.0
ND A:HEM501 2.1 31.2 1.0
N A:HOA503 2.3 36.4 1.0
SG A:CYS400 2.4 34.8 1.0
O A:HOA503 2.8 51.9 1.0
C4C A:HEM501 3.0 34.8 1.0
C4A A:HEM501 3.0 31.4 1.0
C1B A:HEM501 3.1 29.5 1.0
C1A A:HEM501 3.1 30.7 1.0
C1D A:HEM501 3.1 36.5 1.0
C1C A:HEM501 3.1 34.0 1.0
C4B A:HEM501 3.1 30.3 1.0
C4D A:HEM501 3.1 31.9 1.0
CHB A:HEM501 3.4 28.3 1.0
CHD A:HEM501 3.4 29.4 1.0
CB A:CYS400 3.4 31.5 1.0
CHC A:HEM501 3.5 28.1 1.0
CHA A:HEM501 3.5 26.4 1.0
CA A:CYS400 4.2 31.9 1.0
C3C A:HEM501 4.2 29.7 1.0
C3A A:HEM501 4.3 35.1 1.0
C2A A:HEM501 4.3 31.3 1.0
C2C A:HEM501 4.3 32.6 1.0
C2B A:HEM501 4.3 35.7 1.0
C3B A:HEM501 4.3 33.5 1.0
C2D A:HEM501 4.3 29.1 1.0
C3D A:HEM501 4.4 37.2 1.0
O A:ALA264 4.7 50.1 1.0
N2 A:IC6502 4.7 34.0 0.5
CB A:ALA264 4.7 50.3 1.0
C3 A:IC6502 4.8 37.0 0.5
N A:GLY402 4.8 29.9 1.0
C A:CYS400 4.9 30.7 1.0

Iron binding site 2 out of 2 in 7wde

Go back to Iron Binding Sites List in 7wde
Iron binding site 2 out of 2 in the Crystal Structure of the P450 BM3 Heme Domain Mutant F87L 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 F87L 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:32.1
occ:1.00
 FE B:HEM501 0.0 32.1 1.0
NC B:HEM501 2.0 34.6 1.0
NB B:HEM501 2.1 35.9 1.0
NA B:HEM501 2.1 31.4 1.0
ND B:HEM501 2.1 34.1 1.0
SG B:CYS400 2.3 30.7 1.0
N B:HOA503 2.5 38.2 1.0
C4C B:HEM501 3.0 34.9 1.0
C1C B:HEM501 3.0 33.9 1.0
C4B B:HEM501 3.0 31.0 1.0
C1D B:HEM501 3.1 34.6 1.0
C1A B:HEM501 3.1 36.4 1.0
C4D B:HEM501 3.1 30.9 1.0
C4A B:HEM501 3.1 33.5 1.0
C1B B:HEM501 3.1 35.6 1.0
O B:HOA503 3.1 51.0 1.0
CB B:CYS400 3.3 32.6 1.0
CHC B:HEM501 3.4 34.6 1.0
CHD B:HEM501 3.4 29.7 1.0
CHA B:HEM501 3.5 30.4 1.0
CHB B:HEM501 3.5 30.3 1.0
CA B:CYS400 4.0 33.2 1.0
C3C B:HEM501 4.2 32.8 1.0
C2C B:HEM501 4.2 32.2 1.0
C3B B:HEM501 4.3 39.5 1.0
C2A B:HEM501 4.3 34.1 1.0
C2D B:HEM501 4.3 34.2 1.0
C3D B:HEM501 4.3 37.6 1.0
C2B B:HEM501 4.3 33.7 1.0
C3A B:HEM501 4.3 33.6 1.0
CB B:ALA264 4.7 44.9 1.0
O B:ALA264 4.7 51.7 1.0
N2 B:IC6502 4.7 28.5 0.5
C3 B:IC6502 4.8 33.3 0.5
C B:CYS400 4.8 33.1 1.0
N B:GLY402 4.9 28.6 1.0
N B:ILE401 4.9 31.0 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 10:26:58 2024

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