Chlorine 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:

Iron	(Fe)	1 atom
Potassium	(K)	1 atom

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of CYP2C9*14 in Complex with Losartan, PDB code: 8vx0:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of CYP2C9*14 in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl501 b:57.9 occ:1.00 CL A:LSN501 0.0 57.9 1.0 C17 A:LSN501 1.8 48.2 1.0 C15 A:LSN501 2.9 47.3 1.0 N6 A:LSN501 2.9 48.4 1.0 C16 A:LSN501 3.2 50.6 1.0 CB A:ALA106 3.7 64.1 1.0 CG2 A:VAL237 3.9 45.9 1.0 ND2 A:ASN204 3.9 36.0 1.0 CB A:LEU233 3.9 41.3 1.0 O A:ALA106 3.9 68.3 1.0 N5 A:LSN501 4.0 47.4 1.0 C18 A:LSN501 4.1 49.8 1.0 CD2 A:LEU233 4.2 44.0 1.0 CD1 A:LEU208 4.3 31.1 1.0 CG A:LEU233 4.4 43.8 1.0 CD1 A:LEU233 4.4 40.9 1.0 O A:LSN501 4.6 56.5 1.0 O A:LEU233 4.6 45.2 1.0 CA A:ALA106 4.6 65.2 1.0 CD2 A:LEU208 4.6 33.2 1.0 C A:LEU233 4.7 43.2 1.0 C A:ALA106 4.7 65.0 1.0 CA A:LEU233 4.8 43.1 1.0 CG A:LEU208 4.8 31.4 1.0 NE A:ARG108 4.8 51.9 1.0 CG A:ASN204 4.8 36.3 1.0 CB A:ASN204 5.0 36.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of CYP2C9*14 in Complex with Losartan


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of CYP2C9*14 in Complex with Losartan within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:83.4 occ:1.00 CL A:LSN502 0.0 83.4 1.0 C17 A:LSN502 1.8 66.6 1.0 N6 A:LSN502 2.8 65.3 1.0 C15 A:LSN502 2.9 60.6 1.0 C16 A:LSN502 3.6 60.6 1.0 NZ A:LYS232 3.6 46.2 1.0 CD A:LYS232 3.7 39.7 1.0 CE A:LYS232 3.9 41.4 1.0 N5 A:LSN502 4.0 57.6 1.0 C18 A:LSN502 4.0 66.5 1.0 CD A:LYS235 4.2 88.0 1.0 CG A:LYS232 4.6 38.0 1.0 NZ A:LYS235 4.7 101.6 1.0 CB A:LYS232 4.7 38.2 1.0 CA A:LYS232 4.8 39.0 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