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Iron in PDB 7wdh: Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, Phenol and Hydroxylamine

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

All present enzymatic activity of Crystal Structure of the P450 BM3 Heme Domain Mutant F87A in Complex with N-Imidazolyl-Hexanoyl-L-Phenylalanine, Phenol 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-Phenylalanine, Phenol and Hydroxylamine, PDB code: 7wdh 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) 37.57 / 1.68
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 58.893, 148.005, 65.467, 90, 100.24, 90
R / Rfree (%) 17.9 / 20

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-Phenylalanine, Phenol and Hydroxylamine (pdb code 7wdh). 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-Phenylalanine, Phenol and Hydroxylamine, PDB code: 7wdh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 7wdh

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

b:21.3
occ:1.00
FE A:HEM501 0.0 21.3 1.0
NB A:HEM501 2.0 19.8 1.0
NA A:HEM501 2.0 20.3 1.0
NC A:HEM501 2.0 20.7 1.0
ND A:HEM501 2.0 22.3 1.0
SG A:CYS400 2.4 23.9 1.0
N A:HOA502 2.5 27.7 1.0
O A:HOA502 2.9 30.2 1.0
C1C A:HEM501 3.0 23.7 1.0
C4C A:HEM501 3.0 24.0 1.0
C1B A:HEM501 3.0 21.2 1.0
C4A A:HEM501 3.1 22.3 1.0
C1A A:HEM501 3.1 21.8 1.0
C4B A:HEM501 3.1 22.2 1.0
C1D A:HEM501 3.1 21.5 1.0
C4D A:HEM501 3.1 21.6 1.0
CB A:CYS400 3.4 18.6 1.0
CHD A:HEM501 3.4 22.7 1.0
CHB A:HEM501 3.4 20.0 1.0
CHC A:HEM501 3.4 22.0 1.0
CHA A:HEM501 3.4 23.1 1.0
CA A:CYS400 4.1 16.2 1.0
C2C A:HEM501 4.3 22.6 1.0
C3C A:HEM501 4.3 23.3 1.0
C3A A:HEM501 4.3 20.6 1.0
C2B A:HEM501 4.3 20.5 1.0
C2A A:HEM501 4.3 20.5 1.0
C3B A:HEM501 4.3 20.9 1.0
C3D A:HEM501 4.3 21.1 1.0
C2D A:HEM501 4.3 22.7 1.0
N2 A:IC6503 4.7 24.0 0.5
O A:ALA264 4.7 23.2 1.0
C3 A:IC6503 4.8 22.9 0.5
OG1 A:THR268 4.9 22.8 1.0
C A:CYS400 4.9 19.1 1.0
N A:GLY402 5.0 21.6 1.0

Iron binding site 2 out of 2 in 7wdh

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

b:22.7
occ:1.00
FE B:HEM501 0.0 22.7 1.0
NB B:HEM501 2.0 18.9 1.0
ND B:HEM501 2.0 20.2 1.0
NA B:HEM501 2.0 21.3 1.0
NC B:HEM501 2.1 21.3 1.0
N B:HOA502 2.4 25.0 1.0
SG B:CYS400 2.5 23.5 1.0
O B:HOA502 3.0 28.5 1.0
C4B B:HEM501 3.0 19.6 1.0
C1B B:HEM501 3.0 20.3 1.0
C4D B:HEM501 3.1 20.7 1.0
C1C B:HEM501 3.1 21.8 1.0
C1A B:HEM501 3.1 22.5 1.0
C4C B:HEM501 3.1 21.6 1.0
C1D B:HEM501 3.1 19.1 1.0
C4A B:HEM501 3.1 20.3 1.0
CB B:CYS400 3.4 20.9 1.0
CHC B:HEM501 3.4 22.7 1.0
CHA B:HEM501 3.4 21.5 1.0
CHB B:HEM501 3.4 19.2 1.0
CHD B:HEM501 3.4 17.9 1.0
CA B:CYS400 4.1 17.8 1.0
C3B B:HEM501 4.3 20.5 1.0
C2B B:HEM501 4.3 19.3 1.0
C3D B:HEM501 4.3 18.9 1.0
C2C B:HEM501 4.3 21.9 1.0
C2D B:HEM501 4.3 20.3 1.0
C3A B:HEM501 4.3 19.2 1.0
C3C B:HEM501 4.3 20.5 1.0
C2A B:HEM501 4.3 20.0 1.0
O B:ALA264 4.7 25.7 1.0
N2 B:IC6503 4.8 24.4 0.5
C3 B:IC6503 4.8 26.8 0.5
C B:CYS400 4.9 17.8 1.0
OG1 B:THR268 4.9 24.2 1.0
N B:GLY402 5.0 24.4 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: Thu Aug 7 09:51:43 2025

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