Chlorine in PDB 7rl2: Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan

Enzymatic activity of Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan

All present enzymatic activity of Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan:
1.14.14.1; 1.14.14.51; 1.14.14.52; 1.14.14.53;

Protein crystallography data

The structure of Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan, PDB code: 7rl2 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) 37.61 / 2.23
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 75, 143.211, 163.821, 90, 90, 90
R / Rfree (%) 17.8 / 22.4

Other elements in 7rl2:

The structure of Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan (pdb code 7rl2). 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 the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan, PDB code: 7rl2:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 7rl2

Go back to Chlorine Binding Sites List in 7rl2
Chlorine binding site 1 out of 2 in the Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug 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 the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl502

b:56.3
occ:1.00
 CL A:LSN502 0.0 56.3 1.0
C17 A:LSN502 1.8 51.5 1.0
N6 A:LSN502 2.9 46.7 1.0
C15 A:LSN502 2.9 47.5 1.0
C16 A:LSN502 3.4 45.6 1.0
CG2 A:VAL237 3.7 58.9 1.0
ND2 A:ASN204 3.8 44.1 1.0
CB A:LEU233 3.8 47.3 1.0
CB A:ALA106 4.0 54.1 1.0
N5 A:LSN502 4.0 48.0 1.0
C18 A:LSN502 4.0 52.9 1.0
O A:ALA106 4.1 52.1 1.0
O A:LSN502 4.1 54.8 1.0
CD2 A:LEU233 4.2 49.9 1.0
CG A:LEU233 4.4 49.6 1.0
O A:LEU233 4.4 44.0 1.0
CD1 A:LEU208 4.4 47.6 1.0
CD1 A:LEU233 4.5 48.6 1.0
C A:LEU233 4.5 48.9 1.0
O A:HOH624 4.5 53.9 1.0
CA A:LEU233 4.6 49.9 1.0
CG A:ASN204 4.7 53.7 1.0
CA A:ALA106 4.8 53.0 1.0
CD2 A:LEU208 4.8 46.9 1.0
C A:ALA106 4.9 49.3 1.0
CG A:LEU208 4.9 43.1 1.0
NE A:ARG108 5.0 48.5 1.0

Chlorine binding site 2 out of 2 in 7rl2

Go back to Chlorine Binding Sites List in 7rl2
Chlorine binding site 2 out of 2 in the Crystal Structure of the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug 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 the Human Cytochrome P450 2C9*8 (CYP2C9*8) Genetic Variant in Complex with the Drug Losartan within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl503

b:111.0
occ:1.00
 CL A:LSN503 0.0 111.0 1.0
C17 A:LSN503 1.7 66.7 1.0
N6 A:LSN503 2.7 67.4 1.0
C15 A:LSN503 3.0 59.4 1.0
CD A:LYS232 3.2 60.1 1.0
NZ A:LYS232 3.5 66.4 1.0
CE A:LYS232 3.6 63.4 1.0
C16 A:LSN503 3.6 64.1 1.0
C18 A:LSN503 3.9 72.6 1.0
N5 A:LSN503 4.1 58.4 1.0
CG A:LYS232 4.3 56.7 1.0
CB A:LYS232 4.6 51.0 1.0
CA A:LYS232 4.7 48.5 1.0
O A:LSN503 5.0 66.2 1.0

Reference:

S.J.Parikh, S.Kamat, M.Phillips, S.P.Boyson, T.Yarbrough, D.Davie, Q.Zhang, K.C.Glass, M.B.Shah. Insights Into the Genetic Variations of Human Cytochrome P450 2C9: Structural Analysis, Characterization and Comparison Int J Mol Sci V. 22 2021.
ISSN: ESSN 1422-0067
DOI: 10.3390/IJMS221910206
Page generated: Tue Jul 30 03:42:28 2024

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