Iron in PDB 4kpa: Crystal Structure of Cytochrome P450 Bm-3 in Complex with N- Palmitoylglycine (Npg)

All present enzymatic activity of Crystal Structure of Cytochrome P450 Bm-3 in Complex with N- Palmitoylglycine (Npg):
1.14.14.1;

The structure of Crystal Structure of Cytochrome P450 Bm-3 in Complex with N- Palmitoylglycine (Npg), PDB code: 4kpa was solved by G.A.Amadeo, 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)	29.66 / 2.00
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	188.700, 59.320, 56.240, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 Bm-3 in Complex with N- Palmitoylglycine (Npg) (pdb code 4kpa). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Crystal Structure of Cytochrome P450 Bm-3 in Complex with N- Palmitoylglycine (Npg), PDB code: 4kpa:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 Bm-3 in Complex with N- Palmitoylglycine (Npg)


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 in Complex with N- Palmitoylglycine (Npg) within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.0 occ:1.00 FE A:HEM501 0.0 13.0 1.0 NA A:HEM501 2.0 12.3 1.0 NC A:HEM501 2.0 11.5 1.0 ND A:HEM501 2.0 13.8 1.0 NB A:HEM501 2.0 13.3 1.0 SG A:CYS400 2.4 15.9 1.0 C4C A:HEM501 3.0 10.1 1.0 C1D A:HEM501 3.0 9.8 1.0 C1C A:HEM501 3.0 11.4 1.0 C4D A:HEM501 3.0 11.9 1.0 C1A A:HEM501 3.1 13.0 1.0 C4A A:HEM501 3.1 12.6 1.0 C4B A:HEM501 3.1 12.5 1.0 C1B A:HEM501 3.1 14.5 1.0 O A:HOH642 3.2 20.2 1.0 CB A:CYS400 3.3 13.5 1.0 CHD A:HEM501 3.4 8.6 1.0 CHB A:HEM501 3.4 10.4 1.0 CHC A:HEM501 3.4 10.5 1.0 CHA A:HEM501 3.4 10.0 1.0 CA A:CYS400 4.0 13.8 1.0 C3A A:HEM501 4.3 13.9 1.0 C2A A:HEM501 4.3 12.9 1.0 C2C A:HEM501 4.3 14.5 1.0 C3C A:HEM501 4.3 12.6 1.0 C3D A:HEM501 4.3 11.6 1.0 C2D A:HEM501 4.3 11.5 1.0 C2B A:HEM501 4.4 16.6 1.0 C3B A:HEM501 4.4 15.5 1.0 CE2 A:PHE87 4.5 15.5 1.0 O A:ALA264 4.7 10.6 1.0 C A:CYS400 4.7 12.7 1.0 N A:ILE401 4.8 14.3 1.0 N A:GLY402 4.8 13.3 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