Iron in PDB 6hn8: Structure of BM3 Heme Domain in Complex with Troglitazone

All present enzymatic activity of Structure of BM3 Heme Domain in Complex with Troglitazone:
1.14.14.1; 1.6.2.4;

The structure of Structure of BM3 Heme Domain in Complex with Troglitazone, PDB code: 6hn8 was solved by L.Jeffreys, A.W.M.Munro, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.52 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.905, 120.375, 145.951, 90.00, 90.00, 90.00
R / Rfree (%)	15.9 / 18.8

The binding sites of Iron atom in the Structure of BM3 Heme Domain in Complex with Troglitazone (pdb code 6hn8). 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 BM3 Heme Domain in Complex with Troglitazone, PDB code: 6hn8:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structure of BM3 Heme Domain in Complex with Troglitazone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of BM3 Heme Domain in Complex with Troglitazone within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:14.4 occ:1.00 FE A:HEM501 0.0 14.4 1.0 ND A:HEM501 1.9 11.7 1.0 NA A:HEM501 2.0 11.3 1.0 NC A:HEM501 2.1 14.6 1.0 NB A:HEM501 2.1 11.1 1.0 SG A:CYS400 2.6 15.9 1.0 C4D A:HEM501 2.9 11.3 1.0 C1D A:HEM501 2.9 12.0 1.0 C1A A:HEM501 3.0 11.6 1.0 C4C A:HEM501 3.0 12.1 1.0 C4A A:HEM501 3.1 11.3 1.0 C1B A:HEM501 3.1 12.8 1.0 C4B A:HEM501 3.1 13.1 1.0 C1C A:HEM501 3.1 14.4 1.0 CAA A:TDZ502 3.2 20.0 1.0 CHA A:HEM501 3.3 11.2 1.0 CHD A:HEM501 3.4 13.4 1.0 CB A:CYS400 3.5 12.8 1.0 CHB A:HEM501 3.5 12.4 1.0 CHC A:HEM501 3.5 12.4 1.0 CA A:CYS400 4.0 13.4 1.0 C3D A:HEM501 4.1 13.4 1.0 C2D A:HEM501 4.1 10.4 1.0 C2A A:HEM501 4.2 11.3 1.0 C3A A:HEM501 4.2 12.8 1.0 C3C A:HEM501 4.3 11.6 1.0 C2C A:HEM501 4.3 12.3 1.0 C2B A:HEM501 4.3 11.8 1.0 C3B A:HEM501 4.4 11.5 1.0 CAX A:TDZ502 4.5 23.0 1.0 CAB A:TDZ502 4.7 15.6 1.0 C A:CYS400 4.8 14.2 1.0 N A:ILE401 4.9 16.5 1.0 O A:ALA264 4.9 13.2 1.0 N A:GLY402 5.0 15.4 1.0

Iron binding site 2 out of 2 in the Structure of BM3 Heme Domain in Complex with Troglitazone


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of BM3 Heme Domain in Complex with Troglitazone within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:11.9 occ:1.00 FE B:HEM501 0.0 11.9 1.0 ND B:HEM501 1.9 11.7 1.0 NA B:HEM501 2.0 11.8 1.0 NC B:HEM501 2.1 14.2 1.0 NB B:HEM501 2.1 12.6 1.0 SG B:CYS400 2.5 13.9 1.0 C4D B:HEM501 2.9 12.8 1.0 C1D B:HEM501 2.9 12.8 1.0 C1A B:HEM501 3.0 13.9 1.0 CAA B:TDZ502 3.0 22.9 1.0 C4C B:HEM501 3.0 11.8 1.0 C4A B:HEM501 3.1 14.9 1.0 C1B B:HEM501 3.1 13.7 1.0 C4B B:HEM501 3.1 10.4 1.0 C1C B:HEM501 3.1 12.0 1.0 CHA B:HEM501 3.3 10.5 1.0 CHD B:HEM501 3.4 11.4 1.0 CB B:CYS400 3.4 15.1 1.0 CHB B:HEM501 3.5 12.6 1.0 CHC B:HEM501 3.5 11.7 1.0 CA B:CYS400 4.1 13.1 1.0 C3D B:HEM501 4.1 14.2 1.0 C2D B:HEM501 4.1 10.4 1.0 C2A B:HEM501 4.2 9.3 1.0 C3A B:HEM501 4.2 14.7 1.0 C3C B:HEM501 4.3 12.0 1.0 C2C B:HEM501 4.3 12.3 1.0 C2B B:HEM501 4.3 14.6 1.0 C3B B:HEM501 4.4 10.9 1.0 CAX B:TDZ502 4.4 22.7 1.0 CAB B:TDZ502 4.6 25.1 1.0 O B:ALA264 4.9 13.5 1.0 C B:CYS400 4.9 14.1 1.0

L.Jeffreys, D.Leys, A.W.M.Munro. Oxidation of Antidiabetic Compounds By Cytochrome P450 BM3 To Be Published.