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Fluorine in PDB 3sd0: Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice

Enzymatic activity of Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice

All present enzymatic activity of Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice:
2.7.11.26;

Protein crystallography data

The structure of Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice, PDB code: 3sd0 was solved by A.M.Mesecar, R.L.Walters, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.95 / 2.70
Space group P 21 2 21
Cell size a, b, c (Å), α, β, γ (°) 88.505, 96.010, 124.249, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 25.4

Other elements in 3sd0:

The structure of Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice also contains other interesting chemical elements:

Iodine (I) 2 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice (pdb code 3sd0). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice, PDB code: 3sd0:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 3sd0

Go back to Fluorine Binding Sites List in 3sd0
Fluorine binding site 1 out of 2 in the Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F400

b:76.0
occ:1.00
F30 A:TSK400 0.0 76.0 1.0
C23 A:TSK400 1.3 77.8 1.0
C24 A:TSK400 2.4 79.2 1.0
C22 A:TSK400 2.4 79.1 1.0
I31 A:TSK400 3.1 89.9 1.0
CG2 A:VAL70 3.5 47.3 1.0
CB A:VAL70 3.5 50.1 1.0
C17 A:TSK400 3.6 79.1 1.0
C25 A:TSK400 3.7 77.9 1.0
CG1 A:VAL70 3.9 47.9 1.0
CA A:GLY63 3.9 61.5 1.0
C16 A:TSK400 4.1 79.0 1.0
C9 A:TSK400 4.2 57.4 1.0
C10 A:TSK400 4.3 56.8 1.0
C18 A:TSK400 4.3 58.0 1.0
C21 A:TSK400 4.4 58.2 1.0
C19 A:TSK400 4.5 57.5 1.0
O A:ILE62 4.5 60.8 1.0
C20 A:TSK400 4.5 57.8 1.0
CG1 A:ILE62 4.5 54.0 1.0
CZ A:PHE67 4.5 61.0 1.0
N A:GLY63 4.5 59.2 1.0
C A:GLY63 4.7 63.5 1.0
C A:ILE62 4.7 59.1 1.0
C8 A:TSK400 4.8 60.1 1.0
O11 A:TSK400 4.8 55.0 1.0
C13 A:TSK400 4.9 76.3 1.0
CD1 A:ILE62 4.9 52.6 1.0
CA A:VAL70 4.9 50.8 1.0

Fluorine binding site 2 out of 2 in 3sd0

Go back to Fluorine Binding Sites List in 3sd0
Fluorine binding site 2 out of 2 in the Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F400

b:84.8
occ:1.00
F30 B:TSK400 0.0 84.8 1.0
C23 B:TSK400 1.3 85.3 1.0
C22 B:TSK400 2.3 86.5 1.0
C24 B:TSK400 2.4 86.3 1.0
I31 B:TSK400 3.2 94.5 1.0
CG2 B:VAL70 3.5 60.0 1.0
C17 B:TSK400 3.5 86.2 1.0
CA B:GLY63 3.7 75.7 1.0
CB B:VAL70 3.7 61.0 1.0
C25 B:TSK400 3.7 85.7 1.0
C10 B:TSK400 4.0 70.8 1.0
CG1 B:VAL70 4.1 59.5 1.0
C9 B:TSK400 4.1 71.4 1.0
C21 B:TSK400 4.1 71.3 1.0
C16 B:TSK400 4.1 86.3 1.0
C20 B:TSK400 4.2 71.8 1.0
C18 B:TSK400 4.3 71.2 1.0
C19 B:TSK400 4.3 71.7 1.0
O B:HOH21 4.3 51.0 1.0
N B:GLY63 4.4 75.7 1.0
C B:GLY63 4.5 76.4 1.0
O11 B:TSK400 4.5 70.6 1.0
CZ B:PHE67 4.6 68.3 1.0
O32 B:TSK400 4.7 72.0 1.0
C8 B:TSK400 4.7 73.2 1.0
CD1 B:ILE62 4.8 66.9 1.0
O B:ILE62 4.8 79.5 1.0
C B:ILE62 4.9 77.5 1.0
CG1 B:ILE62 4.9 69.4 1.0
C13 B:TSK400 4.9 84.4 1.0
C12 B:TSK400 5.0 71.7 1.0

Reference:

A.M.Mesecar, R.L.Walters. Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice To Be Published.
Page generated: Mon Jul 14 19:17:09 2025

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