Iron in PDB 8vx0: Crystal Structure of CYP2C9*14 in Complex with Losartan

All present enzymatic activity of Crystal Structure of CYP2C9*14 in Complex with Losartan:
1.14.14.1; 1.14.14.51; 1.14.14.52; 1.14.14.53;

The structure of Crystal Structure of CYP2C9*14 in Complex with Losartan, PDB code: 8vx0 was solved by M.B.Shah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.01 / 3.05
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	75.209, 141.659, 161.879, 90, 90, 90
R / Rfree (%)	13.9 / 20.6

The structure of Crystal Structure of CYP2C9*14 in Complex with Losartan also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Potassium	(K)	1 atom

The binding sites of Iron atom in the Crystal Structure of CYP2C9*14 in Complex with Losartan (pdb code 8vx0). 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 Crystal Structure of CYP2C9*14 in Complex with Losartan, PDB code: 8vx0:

Iron binding site 1 out of 1 in the Crystal Structure of CYP2C9*14 in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of CYP2C9*14 in Complex with Losartan within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe504 b:30.4 occ:1.00 FE A:HEM504 0.0 30.4 1.0 ND A:HEM504 1.9 30.2 1.0 NA A:HEM504 2.0 29.0 1.0 NC A:HEM504 2.1 28.0 1.0 NB A:HEM504 2.1 29.5 1.0 O A:HOH617 2.2 77.9 1.0 SG A:CYS435 2.3 31.2 1.0 C1D A:HEM504 2.9 28.4 1.0 C4D A:HEM504 3.0 26.9 1.0 C4A A:HEM504 3.0 30.8 1.0 C1A A:HEM504 3.0 28.0 1.0 C4C A:HEM504 3.0 29.2 1.0 C4B A:HEM504 3.0 27.6 1.0 C1B A:HEM504 3.1 30.1 1.0 C1C A:HEM504 3.1 28.4 1.0 CHD A:HEM504 3.4 27.9 1.0 CB A:CYS435 3.4 30.5 1.0 CHB A:HEM504 3.4 31.4 1.0 CHA A:HEM504 3.4 25.9 1.0 CHC A:HEM504 3.4 26.6 1.0 CA A:CYS435 4.1 31.7 1.0 C2D A:HEM504 4.2 27.8 1.0 C2A A:HEM504 4.2 28.7 1.0 C3D A:HEM504 4.2 29.4 1.0 C3A A:HEM504 4.2 29.6 1.0 C3C A:HEM504 4.3 32.1 1.0 C2C A:HEM504 4.3 31.3 1.0 C2B A:HEM504 4.3 27.4 1.0 C3B A:HEM504 4.3 26.6 1.0 O A:ALA297 4.4 37.0 1.0 CB A:ALA297 4.7 37.2 1.0 N A:GLY437 4.8 35.3 1.0 C5 A:LSN501 4.8 52.9 1.0 C A:CYS435 4.9 32.6 1.0 N A:VAL436 4.9 32.8 1.0

S.J.Parikh, S.Edara, S.Deodhar, A.K.Singh, K.Maekawa, Q.Zhang, K.C.Glass, M.B.Shah. Structural and Biophysical Analysis of Cytochrome P450 2C9*14 and *27 Variants in Complex with Losartan J.Inorg.Biochem. 2024.
ISSN: ISSN 0162-0134
DOI: 10.1016/J.JINORGBIO.2024.112622