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Iron 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:

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

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total only one binding site of Iron was 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:

Iron binding site 1 out of 1 in 7rl2

Go back to Iron Binding Sites List in 7rl2
Iron binding site 1 out of 1 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 Iron with other atoms in the Fe 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:Fe501

b:39.5
occ:1.00
 FE A:HEM501 0.0 39.5 1.0
ND A:HEM501 1.9 39.7 1.0
NA A:HEM501 2.0 39.1 1.0
NC A:HEM501 2.0 39.9 1.0
NB A:HEM501 2.1 36.0 1.0
SG A:CYS435 2.2 38.2 1.0
C4D A:HEM501 2.9 33.1 1.0
C1D A:HEM501 2.9 37.6 1.0
C1A A:HEM501 3.0 36.7 1.0
C4B A:HEM501 3.0 35.1 1.0
C1C A:HEM501 3.0 39.0 1.0
C1B A:HEM501 3.0 39.1 1.0
C4C A:HEM501 3.0 41.2 1.0
O A:HOH645 3.1 53.4 1.0
C4A A:HEM501 3.1 36.7 1.0
CB A:CYS435 3.2 41.0 1.0
CHA A:HEM501 3.4 35.6 1.0
CHC A:HEM501 3.4 35.7 1.0
CHD A:HEM501 3.4 37.2 1.0
CHB A:HEM501 3.5 36.8 1.0
CA A:CYS435 4.1 39.0 1.0
C3D A:HEM501 4.1 37.8 1.0
C2D A:HEM501 4.1 35.7 1.0
C2A A:HEM501 4.2 40.7 1.0
C2C A:HEM501 4.2 37.1 1.0
C3A A:HEM501 4.2 33.4 1.0
C3C A:HEM501 4.2 37.4 1.0
C3B A:HEM501 4.3 37.8 1.0
C2B A:HEM501 4.3 34.1 1.0
O A:ALA297 4.5 47.3 1.0
C A:CYS435 4.7 40.5 1.0
CB A:ALA297 4.7 48.8 1.0
N A:GLY437 4.7 45.4 1.0
N A:VAL436 4.8 44.1 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: Fri Aug 9 00:13:18 2024

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