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Fluorine in PDB 9iml: Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region

Enzymatic activity of Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region

All present enzymatic activity of Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region:
3.4.19.12;

Protein crystallography data

The structure of Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region, PDB code: 9iml was solved by L.Shi, Z.Xu, X.Chen, B.Xiong, N.Zhang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.67 / 2.78
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 101.57, 84.97, 106.99, 90, 90.11, 90
R / Rfree (%) 22.1 / 28

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region (pdb code 9iml). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region, PDB code: 9iml:

Fluorine binding site 1 out of 1 in 9iml

Go back to Fluorine Binding Sites List in 9iml
Fluorine binding site 1 out of 1 in the Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region within 5.0Å range:
probe atom residue distance (Å) B Occ
C:F601

b:63.5
occ:1.00
 F1 C:XB7601 0.0 63.5 1.0
C24 C:XB7601 1.4 64.8 1.0
C23 C:XB7601 2.3 55.7 1.0
C25 C:XB7601 2.3 60.9 1.0
CB C:ASN306 2.9 58.5 1.0
CD2 C:LEU303 3.3 55.4 1.0
CG C:ASN306 3.3 62.7 1.0
CA C:LEU303 3.4 52.9 1.0
ND2 C:ASN306 3.5 60.6 1.0
C22 C:XB7601 3.6 58.7 1.0
C26 C:XB7601 3.6 60.6 1.0
O C:VAL302 3.7 54.2 1.0
CG1 C:VAL256 3.8 64.2 1.0
O C:LEU303 3.8 54.1 1.0
C C:LEU303 4.1 54.3 1.0
C21 C:XB7601 4.1 64.3 1.0
OD1 C:ASN306 4.1 70.3 1.0
CB C:LEU303 4.1 53.4 1.0
C C:VAL302 4.2 54.1 1.0
N C:LEU303 4.2 53.0 1.0
CG2 C:VAL256 4.2 71.8 1.0
CG C:LEU303 4.3 50.3 1.0
CE1 C:PHE283 4.3 65.7 1.0
CA C:ASN306 4.4 56.3 1.0
CB C:VAL256 4.4 67.1 1.0
CD1 C:PHE283 4.7 65.7 1.0
N C:ASN306 4.7 50.8 1.0
CG1 C:VAL302 4.7 66.0 1.0

Reference:

L.Shi, Z.Xu, X.Chen, Q.Meng, H.Zhou, B.Xiong, N.Zhang. Sertraline and Astemizole Enhance the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region. J.Med.Chem. 2025.
ISSN: ISSN 0022-2623
PubMed: 39999290
DOI: 10.1021/ACS.JMEDCHEM.5C00032
Page generated: Wed Jul 16 11:40:16 2025

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