Iron in PDB 7tru: The Crystal Structure of Wt CYP199A4 Bound to 4-(Thiophen-2-Yl)Benzoic Acid

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-(Thiophen-2-Yl)Benzoic Acid, PDB code: 7tru 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)	39.71 / 1.45
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	44.297, 51.591, 79.477, 90, 92.08, 90
R / Rfree (%)	16.6 / 18.9

The structure of The Crystal Structure of Wt CYP199A4 Bound to 4-(Thiophen-2-Yl)Benzoic Acid also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Iron atom in the The Crystal Structure of Wt CYP199A4 Bound to 4-(Thiophen-2-Yl)Benzoic Acid (pdb code 7tru). 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-(Thiophen-2-Yl)Benzoic Acid, PDB code: 7tru:

Iron binding site 1 out of 1 in the The Crystal Structure of Wt CYP199A4 Bound to 4-(Thiophen-2-Yl)Benzoic 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-(Thiophen-2-Yl)Benzoic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe502 b:10.5 occ:1.00 FE A:HEM502 0.0 10.5 1.0 NC A:HEM502 2.0 7.6 1.0 NA A:HEM502 2.0 9.3 1.0 ND A:HEM502 2.1 8.6 1.0 NB A:HEM502 2.1 8.8 1.0 SG A:CYS358 2.4 12.0 1.0 C1C A:HEM502 3.0 10.0 1.0 C4B A:HEM502 3.0 9.7 1.0 C1D A:HEM502 3.1 9.4 1.0 C4A A:HEM502 3.1 8.8 1.0 C4C A:HEM502 3.1 8.8 1.0 C1A A:HEM502 3.1 10.0 1.0 C1B A:HEM502 3.1 10.3 1.0 C4D A:HEM502 3.1 9.6 1.0 CB A:CYS358 3.4 9.5 1.0 CHC A:HEM502 3.4 9.3 1.0 CHD A:HEM502 3.4 8.8 1.0 CHB A:HEM502 3.5 9.4 1.0 CHA A:HEM502 3.5 9.8 1.0 H091 A:KQR501 3.5 18.6 0.1 CA A:CYS358 4.0 10.7 1.0 S12 A:KQR501 4.2 17.5 0.8 C2C A:HEM502 4.2 10.1 1.0 C3C A:HEM502 4.3 10.7 1.0 C3B A:HEM502 4.3 9.4 1.0 C2A A:HEM502 4.3 10.0 1.0 C2B A:HEM502 4.3 10.1 1.0 C3A A:HEM502 4.3 10.0 1.0 C2D A:HEM502 4.3 9.5 1.0 C3D A:HEM502 4.3 11.3 1.0 C09 A:KQR501 4.4 15.5 0.1 H101 A:KQR501 4.7 18.4 0.1 C A:CYS358 4.7 13.0 1.0 O A:ALA248 4.8 17.8 1.0 N A:GLY360 4.8 11.2 1.0 CB A:ALA248 4.8 14.0 1.0 N A:VAL359 4.9 10.8 1.0 H061 A:KQR501 4.9 12.0 0.8 C10 A:KQR501 5.0 15.4 0.1

M.N.Podgorski, S.G.Bell. The Crystal Structure of Wt CYP199A4 Bound to 4-(Thiophen-2-Yl)Benzoic Acid To Be Published.