Iron in PDB 7r8t: High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid

The structure of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid, PDB code: 7r8t 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)	44.24 / 1.37
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.27, 51.4, 79.197, 90, 91.95, 90
R / Rfree (%)	15.3 / 18

The structure of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid (pdb code 7r8t). 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 High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid, PDB code: 7r8t:

Iron binding site 1 out of 1 in the High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:10.7 occ:1.00 FE A:HEM501 0.0 10.7 1.0 NC A:HEM501 2.0 8.9 1.0 NA A:HEM501 2.0 10.2 1.0 NB A:HEM501 2.1 9.3 1.0 ND A:HEM501 2.1 10.2 1.0 SG A:CYS358 2.4 10.8 1.0 C4B A:HEM501 3.0 9.7 1.0 C1C A:HEM501 3.1 10.0 1.0 C4C A:HEM501 3.1 9.3 1.0 C4A A:HEM501 3.1 8.8 1.0 C1A A:HEM501 3.1 9.9 1.0 C4D A:HEM501 3.1 9.6 1.0 C1D A:HEM501 3.1 11.3 1.0 C1B A:HEM501 3.1 9.5 1.0 CB A:CYS358 3.3 8.9 1.0 CHC A:HEM501 3.4 10.1 1.0 CHA A:HEM501 3.4 9.9 1.0 CHD A:HEM501 3.5 10.6 1.0 CHB A:HEM501 3.5 10.5 1.0 C9 A:EGM502 3.6 13.4 0.9 CA A:CYS358 3.9 10.5 1.0 C3B A:HEM501 4.3 10.5 1.0 C2C A:HEM501 4.3 9.9 1.0 C3C A:HEM501 4.3 10.7 1.0 C2A A:HEM501 4.3 9.9 1.0 C3A A:HEM501 4.3 11.2 1.0 C3D A:HEM501 4.3 11.6 1.0 C2D A:HEM501 4.3 9.3 1.0 C2B A:HEM501 4.3 10.3 1.0 C A:CYS358 4.6 11.0 1.0 N A:GLY360 4.7 12.1 1.0 N A:VAL359 4.8 11.2 1.0 C8 A:EGM502 4.8 12.1 0.9 CB A:ALA248 4.9 12.2 1.0 CD1 A:PHE351 5.0 12.3 1.0

M.N.Podgorski, S.G.Bell. High-Resolution Crystal Structure of CYP199A4 Bound to 4-Ethylbenzoic Acid To Be Published.