Iron in PDB 2bmh: Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3

All present enzymatic activity of Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3:
1.14.14.1;

The structure of Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3, PDB code: 2bmh was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 2.00
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	59.530, 154.030, 62.430, 90.00, 94.97, 90.00
R / Rfree (%)	18.4 / n/a

The binding sites of Iron atom in the Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3 (pdb code 2bmh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3, PDB code: 2bmh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe460 b:13.2 occ:1.00 FE A:HEM460 0.0 13.2 1.0 O A:HOH470 1.9 6.0 1.0 ND A:HEM460 2.0 10.1 1.0 NB A:HEM460 2.0 8.2 1.0 NA A:HEM460 2.0 10.9 1.0 NC A:HEM460 2.0 5.1 1.0 SG A:CYS400 2.1 13.0 1.0 C1B A:HEM460 3.0 5.5 1.0 C4A A:HEM460 3.0 12.2 1.0 C1D A:HEM460 3.0 11.7 1.0 C4B A:HEM460 3.1 8.1 1.0 C4D A:HEM460 3.1 14.2 1.0 C1A A:HEM460 3.1 13.9 1.0 C4C A:HEM460 3.1 11.5 1.0 C1C A:HEM460 3.1 9.6 1.0 CB A:CYS400 3.2 10.5 1.0 CHB A:HEM460 3.4 7.8 1.0 CHD A:HEM460 3.4 4.3 1.0 CHA A:HEM460 3.5 12.2 1.0 CHC A:HEM460 3.5 7.1 1.0 CA A:CYS400 3.9 6.7 1.0 O A:ALA264 4.2 11.0 1.0 C2D A:HEM460 4.3 12.4 1.0 C3A A:HEM460 4.3 9.7 1.0 C3B A:HEM460 4.3 9.7 1.0 C2A A:HEM460 4.3 10.5 1.0 C2B A:HEM460 4.3 6.5 1.0 C3D A:HEM460 4.3 4.0 1.0 C3C A:HEM460 4.3 6.2 1.0 O A:HOH709 4.4 29.1 1.0 C2C A:HEM460 4.4 9.0 1.0 C A:CYS400 4.8 12.4 1.0 N A:GLY402 4.9 6.8 1.0

Iron binding site 2 out of 2 in the Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450BM-3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe460 b:15.0 occ:1.00 FE B:HEM460 0.0 15.0 1.0 O B:HOH471 1.8 6.1 1.0 NC B:HEM460 1.9 17.8 1.0 ND B:HEM460 2.0 18.4 1.0 NA B:HEM460 2.0 20.1 1.0 NB B:HEM460 2.0 18.6 1.0 SG B:CYS400 2.1 12.8 1.0 C4C B:HEM460 3.0 22.8 1.0 C1D B:HEM460 3.0 18.4 1.0 C1C B:HEM460 3.0 19.4 1.0 C4D B:HEM460 3.0 16.6 1.0 C4A B:HEM460 3.0 18.4 1.0 C4B B:HEM460 3.0 14.5 1.0 C1A B:HEM460 3.1 20.1 1.0 C1B B:HEM460 3.1 18.5 1.0 CB B:CYS400 3.3 16.1 1.0 CHD B:HEM460 3.4 19.2 1.0 CHC B:HEM460 3.4 17.3 1.0 CHB B:HEM460 3.4 12.6 1.0 CHA B:HEM460 3.4 18.2 1.0 O B:ALA264 3.9 15.1 1.0 CA B:CYS400 4.0 9.1 1.0 O B:HOH622 4.1 26.3 1.0 C3C B:HEM460 4.2 19.3 1.0 C3D B:HEM460 4.2 19.6 1.0 C2C B:HEM460 4.2 22.3 1.0 C2D B:HEM460 4.3 21.7 1.0 C2A B:HEM460 4.3 17.0 1.0 C3A B:HEM460 4.3 16.5 1.0 C3B B:HEM460 4.3 17.7 1.0 C2B B:HEM460 4.3 14.9 1.0 C B:CYS400 4.8 13.1 1.0 C B:ALA264 4.8 14.1 1.0 CB B:ALA264 4.9 11.0 1.0 N B:ILE401 4.9 10.8 1.0 N B:GLY402 4.9 18.5 1.0

H.Li, T.L.Poulos. Modeling Protein-Substrate Interactions in the Heme Domain of Cytochrome P450(Bm-3). Acta Crystallogr.,Sect.D V. 51 21 1995.
ISSN: ISSN 0907-4449
PubMed: 15299332
DOI: 10.1107/S0907444994009194