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 / R_free (%)*	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

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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

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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 Aug 11 16:39:55 2024

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