Iron in PDB 7tzw: The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid, PDB code: 7tzw 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)	35.97 / 1.46
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.19, 51.183, 79.027, 90, 92.09, 90
R / Rfree (%)	16.3 / 18.7

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Chlorine	(Cl)	2 atoms

The binding sites of Iron atom in the The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic Acid (pdb code 7tzw). 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 Wt CYP199A4 Bound to 4-Chlorobenzoic Acid, PDB code: 7tzw:

Iron binding site 1 out of 1 in the The Crystal Structure of Wt CYP199A4 Bound to 4-Chlorobenzoic 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 Wt CYP199A4 Bound to 4-Chlorobenzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:7.1 occ:1.00 FE A:HEM502 0.0 7.1 1.0 NC A:HEM502 2.1 5.6 1.0 ND A:HEM502 2.1 4.9 1.0 NA A:HEM502 2.1 5.5 1.0 NB A:HEM502 2.1 6.2 1.0 SG A:CYS358 2.4 7.2 1.0 C1C A:HEM502 3.0 6.6 1.0 C4B A:HEM502 3.0 6.8 1.0 C4D A:HEM502 3.1 5.4 1.0 C4C A:HEM502 3.1 6.9 1.0 C1A A:HEM502 3.1 6.5 1.0 C1D A:HEM502 3.1 7.2 1.0 C1B A:HEM502 3.1 5.6 1.0 C4A A:HEM502 3.1 6.0 1.0 CB A:CYS358 3.3 6.1 1.0 CHC A:HEM502 3.4 6.9 1.0 CHA A:HEM502 3.4 6.6 1.0 CHD A:HEM502 3.5 7.2 1.0 CHB A:HEM502 3.5 7.4 1.0 CA A:CYS358 4.0 5.5 1.0 H3 A:174501 4.3 7.5 1.0 C2C A:HEM502 4.3 7.5 1.0 C3C A:HEM502 4.3 7.2 1.0 C3B A:HEM502 4.3 4.8 1.0 C3D A:HEM502 4.3 7.2 1.0 C2B A:HEM502 4.3 5.3 1.0 C2D A:HEM502 4.3 7.7 1.0 C2A A:HEM502 4.3 5.6 1.0 C3A A:HEM502 4.3 6.9 1.0 CL4 A:174501 4.4 9.5 1.0 C A:CYS358 4.7 7.0 1.0 CB A:ALA248 4.7 10.2 1.0 N A:GLY360 4.8 7.3 1.0 N A:VAL359 4.9 6.2 1.0 C3 A:174501 4.9 6.2 1.0

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