Iron in PDB 1p0w: F393W Mutant Heme Domain of Flavocytochrome P450 BM3

All present enzymatic activity of F393W Mutant Heme Domain of Flavocytochrome P450 BM3:
1.14.14.1;

The structure of F393W Mutant Heme Domain of Flavocytochrome P450 BM3, PDB code: 1p0w was solved by T.W.B.Ost, J.Clark, C.S.Miles, M.D.Walkinshaw, G.A.Reid, S.K.Chapman, S.Daff, C.G.Mowat, 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 (°)	58.911, 153.538, 61.430, 90.00, 94.42, 90.00
R / Rfree (%)	15.9 / 22.1

The binding sites of Iron atom in the F393W Mutant Heme Domain of Flavocytochrome P450 BM3 (pdb code 1p0w). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the F393W Mutant Heme Domain of Flavocytochrome P450 BM3, PDB code: 1p0w:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the F393W Mutant Heme Domain of Flavocytochrome P450 BM3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of F393W Mutant Heme Domain of Flavocytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe460 b:13.6 occ:1.00 FE A:HEM460 0.0 13.6 1.0 NA A:HEM460 2.0 12.4 1.0 NB A:HEM460 2.0 13.5 1.0 ND A:HEM460 2.0 12.9 1.0 NC A:HEM460 2.0 12.6 1.0 SG A:CYS400 2.3 12.4 1.0 O A:HOH480 2.4 21.0 1.0 C4A A:HEM460 3.0 13.8 1.0 C1B A:HEM460 3.0 11.7 1.0 C4B A:HEM460 3.0 10.6 1.0 C1A A:HEM460 3.0 13.9 1.0 C4C A:HEM460 3.1 12.7 1.0 C4D A:HEM460 3.1 13.1 1.0 C1D A:HEM460 3.1 12.7 1.0 C1C A:HEM460 3.1 11.5 1.0 CB A:CYS400 3.3 11.7 1.0 CHA A:HEM460 3.4 12.7 1.0 CHB A:HEM460 3.4 11.0 1.0 CHC A:HEM460 3.4 11.2 1.0 CHD A:HEM460 3.4 13.2 1.0 CA A:CYS400 3.9 12.5 1.0 O A:HOH830 4.2 28.6 1.0 O A:ALA264 4.2 16.7 1.0 C3A A:HEM460 4.3 13.7 1.0 C3D A:HEM460 4.3 11.8 1.0 C2A A:HEM460 4.3 12.4 1.0 C2B A:HEM460 4.3 11.8 1.0 C3B A:HEM460 4.3 11.9 1.0 C2D A:HEM460 4.3 13.0 1.0 C2C A:HEM460 4.3 13.0 1.0 C3C A:HEM460 4.3 11.8 1.0 CB A:ALA264 4.6 15.9 1.0 C A:CYS400 4.7 12.5 1.0 N A:GLY402 4.8 11.5 1.0 C A:ALA264 4.9 15.2 1.0 N A:ILE401 4.9 12.0 1.0

Iron binding site 2 out of 2 in the F393W Mutant Heme Domain of Flavocytochrome P450 BM3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of F393W Mutant Heme Domain of Flavocytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe460 b:13.9 occ:1.00 FE B:HEM460 0.0 13.9 1.0 NC B:HEM460 2.0 14.6 1.0 NB B:HEM460 2.0 13.0 1.0 NA B:HEM460 2.0 13.9 1.0 ND B:HEM460 2.0 14.5 1.0 SG B:CYS400 2.3 14.1 1.0 O B:HOH615 2.6 24.9 1.0 C4B B:HEM460 3.0 14.0 1.0 C4C B:HEM460 3.0 13.9 1.0 C4A B:HEM460 3.0 12.8 1.0 C1D B:HEM460 3.0 13.8 1.0 C1C B:HEM460 3.1 14.8 1.0 C1B B:HEM460 3.1 13.8 1.0 C4D B:HEM460 3.1 14.4 1.0 C1A B:HEM460 3.1 14.5 1.0 CB B:CYS400 3.3 13.2 1.0 CHD B:HEM460 3.4 12.5 1.0 CHC B:HEM460 3.4 12.9 1.0 CHB B:HEM460 3.4 11.1 1.0 CHA B:HEM460 3.5 12.9 1.0 CA B:CYS400 4.0 13.9 1.0 O B:HOH501 4.3 24.6 1.0 C3C B:HEM460 4.3 14.0 1.0 C2C B:HEM460 4.3 13.7 1.0 O B:ALA264 4.3 15.3 1.0 C3A B:HEM460 4.3 12.4 1.0 C3B B:HEM460 4.3 13.5 1.0 C2A B:HEM460 4.3 13.4 1.0 C2B B:HEM460 4.3 12.9 1.0 C2D B:HEM460 4.3 14.4 1.0 C3D B:HEM460 4.3 13.4 1.0 CB B:ALA264 4.7 16.1 1.0 N B:GLY402 4.7 11.6 1.0 C B:CYS400 4.7 12.8 1.0 C B:ALA264 4.9 14.7 1.0 N B:ILE401 4.9 11.1 1.0 CA B:GLY402 5.0 11.9 1.0

T.W.B.Ost, J.Clark, C.G.Mowat, C.S.Miles, M.D.Walkinshaw, G.A.Reid, S.K.Chapman, S.Daff. Oxygen Activation and Electron Transfer in Flavocytochrome P450 BM3 J.Am.Chem.Soc. V. 125 15010 2003.
ISSN: ISSN 0002-7863
PubMed: 14653735
DOI: 10.1021/JA035731O