Iron in PDB 4kpb: Crystal Structure of Cytochrome P450 Bm-3 R47E Mutant

All present enzymatic activity of Crystal Structure of Cytochrome P450 Bm-3 R47E Mutant:
1.14.14.1;

The structure of Crystal Structure of Cytochrome P450 Bm-3 R47E Mutant, PDB code: 4kpb was solved by K.Sadre-Bazzaz, J.Catalano, A.E.Mcdermott, L.Tong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.39 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.963, 152.716, 62.003, 90.00, 94.38, 90.00
R / Rfree (%)	18.6 / 23.2

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 Bm-3 R47E Mutant (pdb code 4kpb). 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 Cytochrome P450 Bm-3 R47E Mutant, PDB code: 4kpb:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Cytochrome P450 Bm-3 R47E Mutant


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 Cytochrome P450 Bm-3 R47E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:14.6 occ:1.00 FE A:HEM501 0.0 14.6 1.0 NC A:HEM501 2.0 14.4 1.0 NB A:HEM501 2.1 13.2 1.0 NA A:HEM501 2.1 13.1 1.0 ND A:HEM501 2.2 13.3 1.0 SG A:CYS400 2.3 13.9 1.0 O A:HOH941 3.0 23.0 1.0 C4C A:HEM501 3.0 15.2 1.0 C1C A:HEM501 3.0 13.2 1.0 C4B A:HEM501 3.0 12.9 1.0 C4A A:HEM501 3.1 15.5 1.0 C1B A:HEM501 3.1 14.8 1.0 C1D A:HEM501 3.1 13.1 1.0 C1A A:HEM501 3.1 15.1 1.0 C4D A:HEM501 3.2 15.6 1.0 CB A:CYS400 3.2 15.7 1.0 CHC A:HEM501 3.4 13.2 1.0 CHD A:HEM501 3.4 13.7 1.0 CHB A:HEM501 3.5 14.7 1.0 CHA A:HEM501 3.5 14.1 1.0 CA A:CYS400 4.0 14.4 1.0 C3C A:HEM501 4.2 13.6 1.0 C2C A:HEM501 4.2 15.4 1.0 O A:ALA264 4.3 19.2 1.0 C3B A:HEM501 4.3 12.7 1.0 C2B A:HEM501 4.3 12.9 1.0 C3A A:HEM501 4.3 16.0 1.0 C2A A:HEM501 4.3 15.5 1.0 C2D A:HEM501 4.4 12.2 1.0 C3D A:HEM501 4.4 12.6 1.0 CB A:ALA264 4.6 14.6 1.0 N A:GLY402 4.7 13.3 1.0 C A:CYS400 4.8 14.5 1.0 N A:ILE401 4.9 14.4 1.0 C A:ALA264 4.9 15.2 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Cytochrome P450 Bm-3 R47E Mutant


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 Cytochrome P450 Bm-3 R47E Mutant within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe501 b:17.6 occ:1.00 FE B:HEM501 0.0 17.6 1.0 NB B:HEM501 2.1 15.3 1.0 NC B:HEM501 2.1 19.6 1.0 NA B:HEM501 2.1 19.4 1.0 ND B:HEM501 2.1 17.0 1.0 SG B:CYS400 2.3 18.1 1.0 C4C B:HEM501 3.1 19.7 1.0 C4B B:HEM501 3.1 15.7 1.0 C1B B:HEM501 3.1 17.0 1.0 C1C B:HEM501 3.1 18.4 1.0 C1D B:HEM501 3.1 16.5 1.0 C4A B:HEM501 3.1 18.5 1.0 C1A B:HEM501 3.1 17.5 1.0 C4D B:HEM501 3.2 19.2 1.0 CB B:CYS400 3.3 16.8 1.0 CHD B:HEM501 3.4 17.6 1.0 CHC B:HEM501 3.4 15.8 1.0 CHB B:HEM501 3.5 14.3 1.0 CHA B:HEM501 3.5 15.7 1.0 O B:HOH917 3.6 29.0 1.0 CA B:CYS400 4.0 15.3 1.0 C3C B:HEM501 4.3 18.6 1.0 C2C B:HEM501 4.3 17.1 1.0 C3B B:HEM501 4.3 16.9 1.0 C2B B:HEM501 4.3 14.9 1.0 C3A B:HEM501 4.3 18.6 1.0 O B:ALA264 4.4 18.4 1.0 C2A B:HEM501 4.4 16.9 1.0 C2D B:HEM501 4.4 18.0 1.0 C3D B:HEM501 4.4 17.1 1.0 N B:GLY402 4.7 15.9 1.0 CB B:ALA264 4.7 16.4 1.0 C B:CYS400 4.7 15.5 1.0 N B:ILE401 4.8 12.9 1.0 C B:ALA264 4.9 16.1 1.0

J.Catalano, K.Sadre-Bazzaz, G.A.Amodeo, L.Tong, A.Mcdermott. Structural Evidence: A Single Charged Residue Affects Substrate Binding in Cytochrome P450 Bm-3. Biochemistry V. 52 6807 2013.
ISSN: ISSN 0006-2960
PubMed: 23829560
DOI: 10.1021/BI4000645