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Iodine 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:

Fluorine (F) 2 atoms

Iodine Binding Sites:

The binding sites of Iodine 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 Iodine atom.
In total 2 binding sites of Iodine where determined in the Identification of A Glycogen Synthase Kinase-3B Inhibitor That Attenuates Hyperactivity in Clock Mutant Mice, PDB code: 3sd0:
Jump to Iodine binding site number: 1; 2;

Iodine binding site 1 out of 2 in 3sd0

Go back to Iodine Binding Sites List in 3sd0
Iodine 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 Iodine with other atoms in the I 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:I400

b:89.9
occ:1.00
 I31 A:TSK400 0.0 89.9 1.0
C24 A:TSK400 2.1 79.2 1.0
C23 A:TSK400 3.0 77.8 1.0
C25 A:TSK400 3.0 77.9 1.0
O A:ILE62 3.1 60.8 1.0
F30 A:TSK400 3.1 76.0 1.0
CA A:GLY63 3.9 61.5 1.0
O A:HOH455 4.0 59.2 1.0
C A:ILE62 4.1 59.1 1.0
O A:HOH6 4.2 44.4 1.0
C16 A:TSK400 4.3 79.0 1.0
C22 A:TSK400 4.3 79.1 1.0
N A:GLY63 4.4 59.2 1.0
C17 A:TSK400 4.7 79.1 1.0
CG1 A:ILE62 5.0 54.0 1.0

Iodine binding site 2 out of 2 in 3sd0

Go back to Iodine Binding Sites List in 3sd0
Iodine 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 Iodine with other atoms in the I 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:I400

b:94.5
occ:1.00
 I31 B:TSK400 0.0 94.5 1.0
C24 B:TSK400 2.1 86.3 1.0
C25 B:TSK400 3.0 85.7 1.0
C23 B:TSK400 3.0 85.3 1.0
F30 B:TSK400 3.2 84.8 1.0
O B:ILE62 3.3 79.5 1.0
CA B:GLY63 3.8 75.7 1.0
O B:HOH21 4.0 51.0 1.0
C B:ILE62 4.2 77.5 1.0
C16 B:TSK400 4.2 86.3 1.0
C22 B:TSK400 4.3 86.5 1.0
N B:GLY63 4.4 75.7 1.0
C17 B:TSK400 4.7 86.2 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: Sun Dec 13 19:30:16 2020

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