Iron in PDB 5e7y: Crystal Structure of P450 BM3 Heme Domain M7 Variant

All present enzymatic activity of Crystal Structure of P450 BM3 Heme Domain M7 Variant:
1.14.14.1; 1.6.2.4;

The structure of Crystal Structure of P450 BM3 Heme Domain M7 Variant, PDB code: 5e7y was solved by S.Panneerselvm, A.Shehzad, M.Bocola, J.Mueller-Dieckmann, U.Schwaneberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.510, 153.890, 61.590, 90.00, 94.97, 90.00
R / Rfree (%)	18.8 / 22

The binding sites of Iron atom in the Crystal Structure of P450 BM3 Heme Domain M7 Variant (pdb code 5e7y). 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 P450 BM3 Heme Domain M7 Variant, PDB code: 5e7y:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of P450 BM3 Heme Domain M7 Variant


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 P450 BM3 Heme Domain M7 Variant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:20.5 occ:1.00 FE A:HEM501 0.0 20.5 1.0 ND A:HEM501 1.9 21.0 1.0 NA A:HEM501 2.0 20.9 1.0 NC A:HEM501 2.1 18.2 1.0 NB A:HEM501 2.1 20.6 1.0 O A:HOH602 2.2 23.6 1.0 SG A:CYS400 2.3 22.6 1.0 C1D A:HEM501 2.9 18.2 1.0 C4D A:HEM501 3.0 21.6 1.0 C4A A:HEM501 3.0 23.6 1.0 C1A A:HEM501 3.0 24.6 1.0 C4B A:HEM501 3.1 20.7 1.0 C1B A:HEM501 3.1 21.9 1.0 C4C A:HEM501 3.1 19.2 1.0 C1C A:HEM501 3.1 20.1 1.0 CB A:CYS400 3.3 24.5 1.0 CHD A:HEM501 3.4 19.5 1.0 CHA A:HEM501 3.4 20.8 1.0 CHB A:HEM501 3.4 22.5 1.0 CHC A:HEM501 3.5 19.1 1.0 CA A:CYS400 4.0 22.2 1.0 C3A A:HEM501 4.2 22.6 1.0 C2D A:HEM501 4.2 20.6 1.0 C2A A:HEM501 4.2 25.1 1.0 C3D A:HEM501 4.2 19.6 1.0 O A:ALA264 4.3 28.8 1.0 C2B A:HEM501 4.3 20.6 1.0 C2C A:HEM501 4.3 19.6 1.0 C3C A:HEM501 4.3 18.3 1.0 O1 A:GOL502 4.3 50.2 1.0 C3B A:HEM501 4.3 18.8 1.0 CB A:ALA264 4.5 23.2 1.0 O2 A:GOL502 4.7 53.9 1.0 C A:CYS400 4.8 25.4 1.0 N A:GLY402 4.8 21.7 1.0 C A:ALA264 4.8 26.0 1.0 C1 A:GOL502 5.0 52.5 1.0

Iron binding site 2 out of 2 in the Crystal Structure of P450 BM3 Heme Domain M7 Variant


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 P450 BM3 Heme Domain M7 Variant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:25.3 occ:1.00 FE B:HEM501 0.0 25.3 1.0 ND B:HEM501 1.9 22.6 1.0 NA B:HEM501 2.0 23.6 1.0 NB B:HEM501 2.1 27.5 1.0 NC B:HEM501 2.1 25.2 1.0 O B:HOH635 2.1 25.2 1.0 SG B:CYS400 2.3 29.1 1.0 C1D B:HEM501 2.9 24.1 1.0 C4D B:HEM501 3.0 25.0 1.0 C4A B:HEM501 3.0 24.8 1.0 C1A B:HEM501 3.0 25.9 1.0 C1B B:HEM501 3.1 26.9 1.0 C4B B:HEM501 3.1 25.8 1.0 C4C B:HEM501 3.1 25.3 1.0 C1C B:HEM501 3.1 25.7 1.0 CB B:CYS400 3.3 30.2 1.0 CHD B:HEM501 3.4 23.4 1.0 CHB B:HEM501 3.4 26.1 1.0 CHA B:HEM501 3.4 24.5 1.0 CHC B:HEM501 3.5 24.9 1.0 CA B:CYS400 4.0 30.7 1.0 C2D B:HEM501 4.2 25.1 1.0 C3A B:HEM501 4.2 27.0 1.0 C3D B:HEM501 4.2 26.4 1.0 C2A B:HEM501 4.2 25.4 1.0 C2B B:HEM501 4.3 23.8 1.0 C3C B:HEM501 4.3 29.5 1.0 C2C B:HEM501 4.3 23.3 1.0 C3B B:HEM501 4.3 25.4 1.0 O B:ALA264 4.4 31.4 1.0 O3 B:GOL502 4.7 67.2 1.0 O1 B:GOL502 4.7 61.8 1.0 CB B:ALA264 4.7 32.9 1.0 C B:CYS400 4.8 30.8 1.0 N B:GLY402 4.8 28.0 1.0 C B:ALA264 4.9 31.6 1.0

S.Panneerselvm, A.Shehzad, M.Bocola, J.Mueller-Dieckmann, U.Schwaneberg. Crystal Structure of P450 BM3 Heme Domain M7 Variant To Be Published.