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Chlorine in PDB 9iju: 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: 9iju 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) 20.58 / 2.46
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 100.64, 84.86, 106.78, 90, 90.21, 90
R / Rfree (%) 21.8 / 27

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region (pdb code 9iju). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Sertraline Enhances the Deubiquitinase Activity of USP7 By Binding to Its Switching Loop Region, PDB code: 9iju:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 9iju

Go back to Chlorine Binding Sites List in 9iju
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl601

b:63.4
occ:1.00
CL19 C:SRE601 0.0 63.4 1.0
C16 C:SRE601 1.7 59.5 1.0
C17 C:SRE601 2.7 62.4 1.0
C15 C:SRE601 2.7 61.6 1.0
CL20 C:SRE601 3.1 71.9 1.0
CG C:GLU298 3.5 54.1 1.0
N C:LEU299 3.7 55.4 1.0
CB C:GLU298 3.9 57.9 1.0
CA C:LEU299 3.9 56.5 1.0
CD C:GLU298 3.9 54.3 1.0
O C:ASP295 4.0 52.0 1.0
C C:GLU298 4.0 50.2 1.0
C18 C:SRE601 4.0 61.8 1.0
C14 C:SRE601 4.0 60.4 1.0
CB C:HIS294 4.0 61.1 1.0
CG C:HIS294 4.0 67.1 1.0
CB C:LEU299 4.1 55.4 1.0
OE2 C:GLU298 4.1 58.7 1.0
CD2 C:HIS294 4.2 63.5 1.0
O C:GLU298 4.4 50.7 1.0
C13 C:SRE601 4.5 67.3 1.0
CA C:GLU298 4.6 52.9 1.0
OE1 C:GLU298 4.6 57.7 1.0
N C:ASP295 4.7 62.7 1.0
ND1 C:HIS294 4.7 67.0 1.0
CD1 C:LEU299 4.8 53.8 1.0
NE2 C:HIS294 4.9 66.1 1.0

Chlorine binding site 2 out of 4 in 9iju

Go back to Chlorine Binding Sites List in 9iju
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl binding site number 2 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:Cl601

b:71.9
occ:1.00
CL20 C:SRE601 0.0 71.9 1.0
C15 C:SRE601 1.7 61.6 1.0
C14 C:SRE601 2.7 60.4 1.0
C16 C:SRE601 2.7 59.5 1.0
CE2 C:TYR224 3.0 60.6 1.0
CL19 C:SRE601 3.1 63.4 1.0
CH2 C:TRP285 3.3 66.8 1.0
OH C:TYR224 3.4 66.6 1.0
ND1 C:HIS294 3.5 67.0 1.0
CZ C:TYR224 3.6 68.6 1.0
CG C:HIS294 3.8 67.1 1.0
CZ2 C:TRP285 3.8 72.3 1.0
CD1 C:LEU299 3.9 53.8 1.0
CB C:HIS294 4.0 61.1 1.0
CD2 C:TYR224 4.0 61.2 1.0
C13 C:SRE601 4.0 67.3 1.0
C17 C:SRE601 4.0 62.4 1.0
CE1 C:HIS294 4.2 70.7 1.0
CZ3 C:TRP285 4.4 68.4 1.0
C18 C:SRE601 4.5 61.8 1.0
CB C:LEU299 4.5 55.4 1.0
CD2 C:HIS294 4.6 63.5 1.0
CG C:LEU299 4.6 54.2 1.0
NE2 C:HIS294 4.8 66.1 1.0
CD2 C:LEU299 4.8 54.6 1.0
CE1 C:TYR224 4.8 64.4 1.0
CE2 C:PHE283 4.9 65.4 1.0

Chlorine binding site 3 out of 4 in 9iju

Go back to Chlorine Binding Sites List in 9iju
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl binding site number 3 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
G:Cl601

b:79.3
occ:1.00
CL19 G:SRE601 0.0 79.3 1.0
C16 G:SRE601 1.7 65.8 1.0
C15 G:SRE601 2.7 71.4 1.0
C17 G:SRE601 2.7 59.2 1.0
CL20 G:SRE601 3.1 90.2 1.0
CG G:GLU298 3.4 61.2 1.0
CD G:GLU298 3.6 57.9 1.0
N G:LEU299 3.7 64.1 1.0
CB G:GLU298 3.8 61.1 1.0
CA G:LEU299 3.9 63.3 1.0
C G:GLU298 3.9 65.9 1.0
OE2 G:GLU298 3.9 53.4 1.0
C14 G:SRE601 4.0 71.9 1.0
C18 G:SRE601 4.0 69.7 1.0
OE1 G:GLU298 4.2 62.7 1.0
CB G:LEU299 4.3 64.5 1.0
O G:GLU298 4.3 63.8 1.0
O G:ASP295 4.5 61.8 1.0
CA G:GLU298 4.5 67.1 1.0
C13 G:SRE601 4.5 68.8 1.0
CD2 G:HIS294 4.5 59.0 1.0
CG G:HIS294 4.6 62.0 1.0
CD1 G:LEU299 4.7 62.4 1.0
CB G:HIS294 4.8 64.7 1.0

Chlorine binding site 4 out of 4 in 9iju

Go back to Chlorine Binding Sites List in 9iju
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl binding site number 4 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
G:Cl601

b:90.2
occ:1.00
CL20 G:SRE601 0.0 90.2 1.0
C15 G:SRE601 1.7 71.4 1.0
C16 G:SRE601 2.7 65.8 1.0
C14 G:SRE601 2.7 71.9 1.0
CL19 G:SRE601 3.1 79.3 1.0
ND1 G:HIS294 3.4 62.5 1.0
CE1 G:TYR224 3.4 70.2 1.0
CH2 G:TRP285 3.5 67.4 1.0
OH G:TYR224 3.6 74.4 1.0
CG G:HIS294 3.6 62.0 1.0
CZ G:TYR224 3.8 70.6 1.0
CE1 G:HIS294 3.9 57.8 1.0
CZ2 G:TRP285 3.9 71.3 1.0
CB G:HIS294 3.9 64.7 1.0
C17 G:SRE601 4.0 59.2 1.0
C13 G:SRE601 4.0 68.8 1.0
CD1 G:LEU299 4.0 62.4 1.0
CD2 G:HIS294 4.2 59.0 1.0
NE2 G:HIS294 4.3 60.0 1.0
CD1 G:TYR224 4.3 66.8 1.0
CB G:LEU299 4.5 64.5 1.0
C18 G:SRE601 4.5 69.7 1.0
CG G:LEU299 4.6 63.9 1.0
CZ3 G:TRP285 4.6 72.9 1.0
CD2 G:LEU299 4.7 72.2 1.0
CE2 G:TYR224 4.9 67.5 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: Sun Jul 13 17:04:28 2025

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