Iron in PDB 8vkf: The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid

The structure of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid, PDB code: 8vkf was solved by M.N.Podgorski, S.G.Bell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.91 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	40.954, 51.322, 79.119, 90, 92.57, 90
R / Rfree (%)	17.6 / 21.2

The structure of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid also contains other interesting chemical elements:

Magnesium	(Mg)	1 atom
Chlorine	(Cl)	1 atom

The binding sites of Iron atom in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid (pdb code 8vkf). 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 The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid, PDB code: 8vkf:

Iron binding site 1 out of 1 in the The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Crystal Structure of Wild-Type CYP199A4 Bound to 4- Propionylbenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:13.6 occ:1.00 FE A:HEM501 0.0 13.6 1.0 ND A:HEM501 2.0 12.4 1.0 NC A:HEM501 2.0 16.9 1.0 NB A:HEM501 2.0 11.9 1.0 NA A:HEM501 2.0 11.5 1.0 O A:HOH640 2.3 18.7 0.8 SG A:CYS358 2.3 15.6 1.0 C1C A:HEM501 3.0 12.2 1.0 C4B A:HEM501 3.0 11.2 1.0 C4C A:HEM501 3.1 11.8 1.0 C4D A:HEM501 3.1 12.4 1.0 C1D A:HEM501 3.1 13.8 1.0 C1A A:HEM501 3.1 11.7 1.0 C4A A:HEM501 3.1 15.4 1.0 C1B A:HEM501 3.1 14.7 1.0 CB A:CYS358 3.3 18.2 1.0 CHC A:HEM501 3.4 10.7 1.0 CHA A:HEM501 3.4 12.0 1.0 CHD A:HEM501 3.4 12.3 1.0 CHB A:HEM501 3.4 14.5 1.0 CA A:CYS358 4.0 12.7 1.0 O04 A:LVK502 4.2 20.7 1.0 C2C A:HEM501 4.2 11.6 1.0 C3C A:HEM501 4.3 11.4 1.0 C3B A:HEM501 4.3 12.2 1.0 C2D A:HEM501 4.3 15.1 1.0 C3D A:HEM501 4.3 11.5 1.0 C3A A:HEM501 4.3 12.5 1.0 C2A A:HEM501 4.3 13.6 1.0 C2B A:HEM501 4.3 10.3 1.0 O A:ALA248 4.5 20.4 1.0 CB A:ALA248 4.7 16.5 1.0 C A:CYS358 4.7 14.4 1.0 N A:GLY360 4.9 11.6 1.0 N A:VAL359 5.0 12.7 1.0

M.N.Podgorski, S.G.Bell. The Crystal Structure of Wild-Type CYP199A4 Bound to 4-Propionylbenzoic Acid To Be Published.