Iron in PDB 2fr7: Crystal Structure of Cytochrome P450 CYP199A2

The structure of Crystal Structure of Cytochrome P450 CYP199A2, PDB code: 2fr7 was solved by Z.Rao, L.L.Wong, F.Xu, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 2.01
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	72.160, 74.671, 83.679, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 23

The binding sites of Iron atom in the Crystal Structure of Cytochrome P450 CYP199A2 (pdb code 2fr7). 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 CYP199A2, PDB code: 2fr7:

Iron binding site 1 out of 1 in the Crystal Structure of Cytochrome P450 CYP199A2


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 CYP199A2 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:22.9 occ:1.00 FE A:HEM501 0.0 22.9 1.0 NA A:HEM501 2.0 20.7 1.0 NB A:HEM501 2.0 21.5 1.0 NC A:HEM501 2.0 21.5 1.0 ND A:HEM501 2.1 21.5 1.0 SG A:CYS361 2.2 21.9 1.0 O A:HOH732 2.4 27.2 1.0 C4A A:HEM501 3.0 20.5 1.0 C4B A:HEM501 3.1 23.2 1.0 C4D A:HEM501 3.1 20.5 1.0 C1B A:HEM501 3.1 20.6 1.0 C1D A:HEM501 3.1 22.4 1.0 C4C A:HEM501 3.1 21.2 1.0 C1C A:HEM501 3.1 22.2 1.0 C1A A:HEM501 3.1 19.4 1.0 CB A:CYS361 3.1 20.6 1.0 CHC A:HEM501 3.4 21.8 1.0 CHA A:HEM501 3.5 20.5 1.0 CHB A:HEM501 3.5 21.1 1.0 CHD A:HEM501 3.5 21.7 1.0 CA A:CYS361 3.9 21.6 1.0 C3D A:HEM501 4.3 22.1 1.0 C2A A:HEM501 4.3 21.2 1.0 C3B A:HEM501 4.3 22.9 1.0 C3A A:HEM501 4.3 20.7 1.0 C2D A:HEM501 4.3 22.1 1.0 C2B A:HEM501 4.3 21.7 1.0 C2C A:HEM501 4.3 22.1 1.0 C3C A:HEM501 4.3 21.7 1.0 O A:ALA251 4.4 24.4 1.0 O A:HOH597 4.5 41.1 1.0 C A:CYS361 4.6 22.2 1.0 N A:GLY363 4.8 24.4 1.0 N A:VAL362 4.9 23.6 1.0 N A:CYS361 5.0 21.7 1.0

S.G.Bell, F.Xu, I.Forward, M.Bartlam, Z.Rao, L.L.Wong. Crystal Structure of CYP199A2, A Para-Substituted Benzoic Acid Oxidizing Cytochrome P450 From Rhodopseudomonas Palustris J.Mol.Biol. V. 383 561 2008.
ISSN: ISSN 0022-2836
PubMed: 18762195
DOI: 10.1016/J.JMB.2008.08.033