Chlorine in PDB 5x24: Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules

All present enzymatic activity of Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules:
1.14.13.48; 1.14.13.49; 1.14.13.80; 1.14.99.38;

The structure of Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules, PDB code: 5x24 was solved by K.Maekawa, M.Adachi, M.B.Shah, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.78 / 2.48
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	74.858, 141.777, 160.656, 90.00, 90.00, 90.00
R / Rfree (%)	22.9 / 27

The structure of Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules also contains other interesting chemical elements:

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

The binding sites of Chlorine atom in the Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules (pdb code 5x24). 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 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules, PDB code: 5x24:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules


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 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl502 b:77.5 occ:1.00 CL A:LSN502 0.0 77.5 1.0 C17 A:LSN502 1.8 73.6 1.0 N6 A:LSN502 2.9 70.1 1.0 C15 A:LSN502 2.9 72.4 1.0 C16 A:LSN502 3.4 74.3 1.0 CG2 A:VAL237 3.5 55.8 1.0 ND2 A:ASN204 3.7 52.3 1.0 CB A:ALA106 3.9 80.1 1.0 CB A:LEU233 3.9 56.0 1.0 C18 A:LSN502 4.0 73.6 1.0 N5 A:LSN502 4.0 72.8 1.0 O A:ALA106 4.2 82.0 1.0 O A:LEU233 4.4 58.5 1.0 CD1 A:LEU208 4.4 48.5 1.0 CD2 A:LEU233 4.4 51.3 1.0 C A:LEU233 4.5 58.0 1.0 CG A:LEU233 4.6 53.4 1.0 CG A:ASN204 4.6 56.2 1.0 O A:LSN502 4.6 74.4 1.0 CG A:ARG108 4.6 79.0 1.0 CA A:LEU233 4.7 56.9 1.0 CD1 A:LEU233 4.8 52.5 1.0 CD A:ARG108 4.8 74.1 1.0 CB A:VAL237 4.9 56.9 1.0 CA A:ALA106 4.9 81.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of CYP2C9 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules


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 Genetic Variant I359L (*3) in Complex with Multiple Losartan Molecules within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl503 b:88.9 occ:1.00 CL A:LSN503 0.0 88.9 1.0 C17 A:LSN503 1.8 77.7 1.0 N6 A:LSN503 2.7 75.7 1.0 C15 A:LSN503 3.1 73.9 1.0 CD A:LYS232 3.2 57.2 1.0 NZ A:LYS232 3.3 57.6 1.0 CE A:LYS232 3.5 56.8 1.0 C18 A:LSN503 3.9 74.7 1.0 C16 A:LSN503 4.0 74.8 1.0 N5 A:LSN503 4.1 69.8 1.0 NZ A:LYS235 4.2 76.6 1.0 CD A:LYS235 4.3 73.0 1.0 CG A:LYS232 4.5 56.9 1.0 CB A:LYS232 4.8 55.7 1.0 CE A:LYS235 4.8 76.1 1.0 CA A:LYS232 5.0 57.2 1.0

K.Maekawa, M.Adachi, Y.Matsuzawa, Q.Zhang, R.Kuroki, Y.Saito, M.B.Shah. Structural Basis of Single-Nucleotide Polymorphisms in Cytochrome P450 2C9 Biochemistry V. 56 5476 2017.
ISSN: ISSN 1520-4995
PubMed: 28972767
DOI: 10.1021/ACS.BIOCHEM.7B00795