Atomistry » Chlorine » PDB 8sbx-8sxr » 8spd
Atomistry »
  Chlorine »
    PDB 8sbx-8sxr »
      8spd »

Chlorine in PDB 8spd: Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole

Enzymatic activity of Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole

All present enzymatic activity of Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole:
1.14.14.1; 1.14.14.55; 1.14.14.56; 1.14.14.73;

Protein crystallography data

The structure of Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole, PDB code: 8spd was solved by M.H.Hsu, E.F.Johnson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.55 / 2.90
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.178, 101.792, 125.691, 90, 90, 90
R / Rfree (%) 22.2 / 26.9

Other elements in 8spd:

The structure of Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole also contains other interesting chemical elements:

Iron (Fe) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole (pdb code 8spd). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole, PDB code: 8spd:

Chlorine binding site 1 out of 1 in 8spd

Go back to Chlorine Binding Sites List in 8spd
Chlorine binding site 1 out of 1 in the Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cytochrome P450 (Cyp) 3A4 Crystallized with Clotrimazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl602

b:103.4
occ:1.00
CLAY A:CL6602 0.0 103.4 1.0
CAX A:CL6602 1.7 92.0 1.0
CAV A:CL6602 2.7 91.3 1.0
CAW A:CL6602 2.7 87.1 1.0
NAO A:CL6602 2.9 86.6 1.0
CAR A:CL6602 3.1 89.1 1.0
CAK A:CL6602 3.2 78.7 1.0
CAL A:CL6602 3.3 79.0 1.0
CAP A:CL6602 3.3 85.2 1.0
CAM A:CL6602 3.4 80.1 1.0
C3D A:HEM601 3.6 79.6 1.0
C2D A:HEM601 3.6 82.6 1.0
C4D A:HEM601 3.7 78.9 1.0
C1D A:HEM601 3.7 83.9 1.0
ND A:HEM601 3.8 85.8 1.0
CAQ A:CL6602 3.9 83.4 1.0
NAN A:CL6602 3.9 81.9 1.0
CAT A:CL6602 4.0 89.8 1.0
CB A:ALA305 4.0 91.9 1.0
CAU A:CL6602 4.0 82.5 1.0
CAI A:CL6602 4.2 77.7 1.0
CB A:SER119 4.3 93.5 1.0
CAD A:HEM601 4.3 80.5 1.0
CHA A:HEM601 4.3 80.3 1.0
CMD A:HEM601 4.3 86.5 1.0
CAJ A:CL6602 4.4 81.2 1.0
CHD A:HEM601 4.4 85.0 1.0
CAS A:CL6602 4.5 89.4 1.0
OG A:SER119 4.5 99.7 1.0
CG2 A:ILE301 4.6 110.5 1.0
CA A:ALA305 4.6 92.3 1.0
CAC A:CL6602 4.7 91.9 1.0
FE A:HEM601 4.8 84.3 1.0

Reference:

M.H.Hsu, E.F.Johnson. Differential Effects of Clotrimazole on X-Ray Crystal Structures of Human Cytochrome P450 (Cyp) 3A5 and 3A4. Drug Metab.Dispos. 2023.
ISSN: ESSN 1521-009X
PubMed: 37770228
DOI: 10.1124/DMD.123.001464
Page generated: Thu Dec 28 03:30:17 2023

Last articles

Zn in 8WB0
Zn in 8WAX
Zn in 8WAU
Zn in 8WAZ
Zn in 8WAY
Zn in 8WAV
Zn in 8WAW
Zn in 8WAT
Zn in 8W7M
Zn in 8WD3
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy