Iron in PDB 4kf0: Structure of the A82F P450 BM3 Heme Domain

All present enzymatic activity of Structure of the A82F P450 BM3 Heme Domain:
1.14.14.1; 1.6.2.4;

The structure of Structure of the A82F P450 BM3 Heme Domain, PDB code: 4kf0 was solved by D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.47 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.130, 147.150, 64.020, 90.00, 97.54, 90.00
R / Rfree (%)	14.5 / 17.8

The binding sites of Iron atom in the Structure of the A82F P450 BM3 Heme Domain (pdb code 4kf0). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of the A82F P450 BM3 Heme Domain, PDB code: 4kf0:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of the A82F P450 BM3 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of the A82F P450 BM3 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:11.5 occ:1.00 FE A:HEM501 0.0 11.5 1.0 NC A:HEM501 2.0 10.8 1.0 ND A:HEM501 2.0 10.0 1.0 NA A:HEM501 2.0 10.6 1.0 NB A:HEM501 2.1 9.9 1.0 SG A:CYS400 2.4 12.4 1.0 C1A A:HEM501 3.0 11.0 1.0 C4D A:HEM501 3.0 10.1 1.0 C1C A:HEM501 3.1 9.9 1.0 C4B A:HEM501 3.1 10.3 1.0 C4C A:HEM501 3.1 11.4 1.0 C1D A:HEM501 3.1 11.2 1.0 C1B A:HEM501 3.1 10.5 1.0 C4A A:HEM501 3.1 9.6 1.0 CB A:CYS400 3.3 11.9 1.0 CHA A:HEM501 3.4 10.3 1.0 CHC A:HEM501 3.4 10.0 1.0 CHB A:HEM501 3.4 11.0 1.0 CHD A:HEM501 3.5 11.1 1.0 O A:HOH693 3.5 29.4 1.0 CA A:CYS400 4.0 9.5 1.0 C2C A:HEM501 4.3 9.6 1.0 C2A A:HEM501 4.3 9.7 1.0 C3C A:HEM501 4.3 10.1 1.0 C3A A:HEM501 4.3 9.6 1.0 C3D A:HEM501 4.3 10.7 1.0 C3B A:HEM501 4.3 9.3 1.0 C2B A:HEM501 4.3 10.6 1.0 C2D A:HEM501 4.3 10.2 1.0 C A:CYS400 4.8 10.5 1.0 N A:GLY402 4.9 11.7 1.0 N A:ILE401 4.9 10.0 1.0

Iron binding site 2 out of 2 in the Structure of the A82F P450 BM3 Heme Domain


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of the A82F P450 BM3 Heme Domain within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:11.3 occ:1.00 FE B:HEM501 0.0 11.3 1.0 ND B:HEM501 2.0 9.9 1.0 NC B:HEM501 2.0 11.2 1.0 NA B:HEM501 2.1 10.1 1.0 NB B:HEM501 2.1 10.2 1.0 SG B:CYS400 2.4 12.1 1.0 O B:HOH648 2.6 32.2 1.0 C4C B:HEM501 3.1 10.8 1.0 C1D B:HEM501 3.1 10.4 1.0 C1C B:HEM501 3.1 9.4 1.0 C4D B:HEM501 3.1 10.9 1.0 C1B B:HEM501 3.1 9.9 1.0 C1A B:HEM501 3.1 10.1 1.0 C4B B:HEM501 3.1 10.7 1.0 C4A B:HEM501 3.1 9.9 1.0 CB B:CYS400 3.3 10.5 1.0 CHD B:HEM501 3.4 11.3 1.0 CHC B:HEM501 3.4 11.1 1.0 CHA B:HEM501 3.5 10.0 1.0 CHB B:HEM501 3.5 10.4 1.0 CA B:CYS400 4.0 10.1 1.0 C3C B:HEM501 4.3 10.1 1.0 C2C B:HEM501 4.3 9.8 1.0 C2D B:HEM501 4.3 10.9 1.0 C2B B:HEM501 4.3 10.3 1.0 C2A B:HEM501 4.3 10.4 1.0 C3B B:HEM501 4.3 11.1 1.0 C3A B:HEM501 4.3 10.8 1.0 C3D B:HEM501 4.3 9.8 1.0 C B:CYS400 4.8 9.6 1.0 N B:GLY402 4.9 10.2 1.0 N B:ILE401 4.9 9.6 1.0 O B:ALA264 4.9 14.3 1.0

C.F.Butler, C.Peet, A.E.Mason, M.W.Voice, D.Leys, A.W.Munro. Key Mutations Alter the Cytochrome P450 BM3 Conformational Landscape and Remove Inherent Substrate Bias. J.Biol.Chem. V. 288 25387 2013.
ISSN: ISSN 0021-9258
PubMed: 23828198
DOI: 10.1074/JBC.M113.479717