Iron in PDB 1yqo: T268A Mutant Heme Domain of Flavocytochrome P450 BM3

All present enzymatic activity of T268A Mutant Heme Domain of Flavocytochrome P450 BM3:
1.14.14.1; 1.6.2.4;

The structure of T268A Mutant Heme Domain of Flavocytochrome P450 BM3, PDB code: 1yqo was solved by J.P.Clark, C.S.Miles, C.G.Mowat, M.D.Walkinshaw, G.A.Reid, S.N.Daff, S.K.Chapman, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.727, 152.962, 61.732, 90.00, 94.37, 90.00
R / Rfree (%)	16.6 / 20.6

The binding sites of Iron atom in the T268A Mutant Heme Domain of Flavocytochrome P450 BM3 (pdb code 1yqo). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the T268A Mutant Heme Domain of Flavocytochrome P450 BM3, PDB code: 1yqo:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the T268A 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 T268A Mutant Heme Domain of Flavocytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe460 b:13.7 occ:1.00 FE A:HEM460 0.0 13.7 1.0 NC A:HEM460 2.0 13.0 1.0 NB A:HEM460 2.0 14.2 1.0 NA A:HEM460 2.1 13.7 1.0 ND A:HEM460 2.1 13.4 1.0 SG A:CYS400 2.3 11.9 1.0 O A:HOH574 2.4 24.1 1.0 C4C A:HEM460 3.0 11.2 1.0 C4B A:HEM460 3.0 13.4 1.0 C4A A:HEM460 3.0 13.7 1.0 C1C A:HEM460 3.1 12.2 1.0 C1B A:HEM460 3.1 12.9 1.0 C1D A:HEM460 3.1 10.8 1.0 C1A A:HEM460 3.1 13.2 1.0 C4D A:HEM460 3.1 13.1 1.0 CB A:CYS400 3.3 11.1 1.0 CHB A:HEM460 3.4 12.0 1.0 CHD A:HEM460 3.4 12.2 1.0 CHC A:HEM460 3.4 12.7 1.0 CHA A:HEM460 3.5 13.4 1.0 CA A:CYS400 4.0 11.9 1.0 C3C A:HEM460 4.3 11.2 1.0 C3B A:HEM460 4.3 12.4 1.0 C3A A:HEM460 4.3 13.0 1.0 C2C A:HEM460 4.3 12.0 1.0 C2B A:HEM460 4.3 12.6 1.0 C2A A:HEM460 4.3 11.4 1.0 C2D A:HEM460 4.3 8.6 1.0 C3D A:HEM460 4.3 9.6 1.0 O A:HOH666 4.4 35.4 1.0 O A:ALA264 4.4 22.8 1.0 C A:CYS400 4.8 11.6 1.0 N A:GLY402 4.8 12.4 1.0 CB A:ALA264 4.8 18.7 1.0 C A:ALA264 4.9 21.0 1.0 N A:ILE401 4.9 11.7 1.0

Iron binding site 2 out of 2 in the T268A 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 T268A Mutant Heme Domain of Flavocytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe460 b:16.0 occ:1.00 FE B:HEM460 0.0 16.0 1.0 NC B:HEM460 2.0 15.3 1.0 NB B:HEM460 2.0 14.7 1.0 NA B:HEM460 2.1 13.3 1.0 ND B:HEM460 2.1 17.1 1.0 SG B:CYS400 2.2 14.7 1.0 O B:HOH626 2.3 35.7 1.0 C4C B:HEM460 3.0 16.2 1.0 C4B B:HEM460 3.0 16.5 1.0 C1B B:HEM460 3.1 15.4 1.0 C1C B:HEM460 3.1 16.6 1.0 C1D B:HEM460 3.1 16.9 1.0 C4A B:HEM460 3.1 13.7 1.0 C1A B:HEM460 3.1 14.3 1.0 C4D B:HEM460 3.1 16.6 1.0 CB B:CYS400 3.3 14.4 1.0 CHD B:HEM460 3.4 15.8 1.0 CHC B:HEM460 3.4 16.1 1.0 CHB B:HEM460 3.5 13.2 1.0 CHA B:HEM460 3.5 15.2 1.0 CA B:CYS400 4.0 14.3 1.0 C3C B:HEM460 4.2 17.2 1.0 C3B B:HEM460 4.3 16.2 1.0 C2C B:HEM460 4.3 16.7 1.0 C2B B:HEM460 4.3 14.6 1.0 C3A B:HEM460 4.3 13.9 1.0 C2A B:HEM460 4.3 15.4 1.0 C2D B:HEM460 4.3 16.0 1.0 C3D B:HEM460 4.4 14.2 1.0 O B:ALA264 4.5 26.4 1.0 O B:HOH556 4.5 36.6 1.0 N B:GLY402 4.7 14.3 1.0 C B:CYS400 4.7 14.5 1.0 N B:ILE401 4.9 13.6 1.0 CB B:ALA264 4.9 24.3 1.0 C B:ALA264 5.0 25.1 1.0

J.P.Clark, C.S.Miles, C.G.Mowat, M.D.Walkinshaw, G.A.Reid, S.N.Daff, S.K.Chapman. The Role of THR268 and PHE393 in Cytochrome P450 BM3. J.Inorg.Biochem. V. 100 1075 2006.
ISSN: ISSN 0162-0134
PubMed: 16403573
DOI: 10.1016/J.JINORGBIO.2005.11.020