Iron in PDB 6tev: The Structure of CYP121 in Complex with Inhibitor L44

All present enzymatic activity of The Structure of CYP121 in Complex with Inhibitor L44:
1.14.19.70;

The structure of The Structure of CYP121 in Complex with Inhibitor L44, PDB code: 6tev was solved by S.Adam, J.Koehnke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.53 / 1.70
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.555, 77.555, 264.188, 90, 90, 120
R / Rfree (%)	17.1 / 18.9

The structure of The Structure of CYP121 in Complex with Inhibitor L44 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Iron atom in the The Structure of CYP121 in Complex with Inhibitor L44 (pdb code 6tev). 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 Structure of CYP121 in Complex with Inhibitor L44, PDB code: 6tev:

Iron binding site 1 out of 1 in the The Structure of CYP121 in Complex with Inhibitor L44


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of The Structure of CYP121 in Complex with Inhibitor L44 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe905 b:15.5 occ:1.00 FE A:HEM905 0.0 15.5 1.0 NB A:HEM905 2.0 12.1 1.0 ND A:HEM905 2.0 12.6 1.0 NC A:HEM905 2.0 13.6 1.0 NA A:HEM905 2.0 12.0 1.0 O A:HOH1080 2.3 18.9 1.0 SG A:CYS345 2.4 17.0 1.0 C1B A:HEM905 3.0 12.0 1.0 C4B A:HEM905 3.0 12.4 1.0 C4D A:HEM905 3.0 14.8 1.0 C1D A:HEM905 3.0 13.4 1.0 C4C A:HEM905 3.1 14.2 1.0 C1C A:HEM905 3.1 14.0 1.0 C4A A:HEM905 3.1 11.6 1.0 C1A A:HEM905 3.1 12.6 1.0 HB2 A:CYS345 3.2 20.1 1.0 CB A:CYS345 3.4 16.7 1.0 CHB A:HEM905 3.4 11.4 1.0 CHA A:HEM905 3.4 13.8 1.0 CHD A:HEM905 3.4 13.3 1.0 CHC A:HEM905 3.4 13.2 1.0 HA A:CYS345 3.9 20.3 1.0 HD2 A:PRO346 3.9 20.5 1.0 HB3 A:CYS345 4.1 20.1 1.0 H A:GLY347 4.2 22.2 1.0 CA A:CYS345 4.2 16.9 1.0 C2B A:HEM905 4.2 12.2 1.0 C3B A:HEM905 4.2 12.9 1.0 C2D A:HEM905 4.2 15.2 1.0 C3D A:HEM905 4.2 16.3 1.0 C3C A:HEM905 4.3 15.6 1.0 C2C A:HEM905 4.3 14.9 1.0 C3A A:HEM905 4.3 12.5 1.0 C2A A:HEM905 4.3 13.4 1.0 HHA A:HEM905 4.3 16.6 1.0 HHB A:HEM905 4.4 13.7 1.0 OG A:SER237 4.4 13.0 1.0 HHC A:HEM905 4.4 15.8 1.0 HHD A:HEM905 4.4 16.0 1.0 HD1 A:PHE338 4.4 20.7 1.0 HB1 A:ALA233 4.5 18.0 1.0 N17 A:N5W902 4.5 45.8 1.0 HB3 A:SER237 4.6 15.8 1.0 HB2 A:SER237 4.7 15.8 1.0 CD A:PRO346 4.8 17.2 1.0 CB A:SER237 4.8 13.2 1.0 HG A:SER237 4.8 15.6 1.0 HZ A:PHE280 4.8 15.3 1.0 HA3 A:GLY347 4.9 22.6 1.0 C A:CYS345 4.9 17.7 1.0 N A:GLY347 5.0 18.5 1.0

S.Adam, J.Koehnke. The Structure of CYP121 in Complex with Inhibitor L44 To Be Published.