Iron in PDB 3ekf: Crystal Structure of the A264Q Heme Domain of Cytochrome P450 BM3

All present enzymatic activity of Crystal Structure of the A264Q Heme Domain of Cytochrome P450 BM3:
1.14.14.1;

The structure of Crystal Structure of the A264Q Heme Domain of Cytochrome P450 BM3, PDB code: 3ekf was solved by H.S.Toogood, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	61.067, 119.709, 146.672, 90.00, 90.00, 90.00
R / Rfree (%)	21.5 / 26.7

The binding sites of Iron atom in the Crystal Structure of the A264Q Heme Domain of Cytochrome P450 BM3 (pdb code 3ekf). 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 A264Q Heme Domain of Cytochrome P450 BM3, PDB code: 3ekf:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of the A264Q Heme Domain of Cytochrome P450 BM3


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 A264Q Heme Domain of Cytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe471 b:15.2 occ:1.00 FE A:HEM471 0.0 15.2 1.0 NC A:HEM471 2.0 11.7 1.0 NE2 A:GLN264 2.1 22.4 0.5 NA A:HEM471 2.1 13.3 1.0 NB A:HEM471 2.1 15.1 1.0 ND A:HEM471 2.2 14.0 1.0 SG A:CYS400 2.3 14.7 1.0 C4C A:HEM471 3.0 15.0 1.0 C1D A:HEM471 3.1 13.0 1.0 C4A A:HEM471 3.1 13.2 1.0 C1B A:HEM471 3.1 13.7 1.0 C1C A:HEM471 3.1 14.3 1.0 C4B A:HEM471 3.1 14.2 1.0 C1A A:HEM471 3.2 14.7 1.0 CD A:GLN264 3.2 24.8 0.5 C4D A:HEM471 3.2 14.1 1.0 CB A:CYS400 3.3 14.4 1.0 CHD A:HEM471 3.3 12.6 1.0 CHB A:HEM471 3.4 13.4 1.0 CHC A:HEM471 3.5 13.6 1.0 CHA A:HEM471 3.6 13.1 1.0 OE1 A:GLN264 3.7 26.5 0.5 CA A:CYS400 3.9 15.7 1.0 C3C A:HEM471 4.2 15.0 1.0 O A:HOH551 4.2 32.4 1.0 C2C A:HEM471 4.3 13.0 1.0 C3A A:HEM471 4.3 13.8 1.0 C2B A:HEM471 4.3 11.5 1.0 C3B A:HEM471 4.3 12.5 1.0 C2A A:HEM471 4.3 13.6 1.0 C2D A:HEM471 4.3 14.4 1.0 CG A:GLN264 4.4 23.9 0.5 C3D A:HEM471 4.4 13.8 1.0 C A:CYS400 4.7 16.4 1.0 N A:GLY402 4.7 17.1 1.0 N A:ILE401 4.8 17.3 1.0 O A:GLN264 4.8 22.8 0.5

Iron binding site 2 out of 2 in the Crystal Structure of the A264Q Heme Domain of Cytochrome P450 BM3


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 A264Q Heme Domain of Cytochrome P450 BM3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe471 b:24.6 occ:1.00 FE B:HEM471 0.0 24.6 1.0 NB B:HEM471 2.0 20.5 1.0 ND B:HEM471 2.0 19.4 1.0 NC B:HEM471 2.1 21.8 1.0 NA B:HEM471 2.2 21.5 1.0 SG B:CYS400 2.5 26.6 1.0 C4B B:HEM471 3.0 22.6 1.0 C1D B:HEM471 3.0 21.6 1.0 C1C B:HEM471 3.0 21.1 1.0 C4D B:HEM471 3.1 22.0 1.0 C4C B:HEM471 3.1 21.9 1.0 C1B B:HEM471 3.1 22.6 1.0 O B:HOH837 3.1 41.9 1.0 C4A B:HEM471 3.2 22.3 1.0 C1A B:HEM471 3.2 21.1 1.0 CHC B:HEM471 3.4 22.0 1.0 CHD B:HEM471 3.4 21.4 1.0 CB B:CYS400 3.4 26.7 1.0 CHA B:HEM471 3.5 20.3 1.0 CHB B:HEM471 3.5 22.4 1.0 NE2 B:GLN264 3.8 38.2 1.0 CA B:CYS400 4.0 27.3 1.0 C3B B:HEM471 4.2 20.9 1.0 C2C B:HEM471 4.3 22.6 1.0 C2B B:HEM471 4.3 20.5 1.0 C3C B:HEM471 4.3 22.8 1.0 C2D B:HEM471 4.3 16.8 1.0 C3D B:HEM471 4.3 18.1 1.0 C3A B:HEM471 4.4 22.5 1.0 C2A B:HEM471 4.4 22.1 1.0 C B:CYS400 4.8 27.8 1.0 N B:GLY402 4.8 27.7 1.0 N B:ILE401 4.9 27.9 1.0 CD B:GLN264 4.9 38.3 1.0 OG1 B:THR268 5.0 26.0 1.0 CB B:GLN264 5.0 36.2 1.0

H.M.Girvan, H.S.Toogood, R.E.Littleford, H.E.Seward, W.E.Smith, I.S.Ekanem, D.Leys, M.R.Cheesman, A.W.Munro. Novel Haem Co-Ordination Variants of Flavocytochrome P450BM3. Biochem.J. V. 417 65 2009.
ISSN: ISSN 0264-6021
PubMed: 18721129
DOI: 10.1042/BJ20081133