Fluorine in PDB 5sk2: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole, PDB code: 5sk2 was solved by C.Joseph, J.Benz, A.Flohr, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

*Resolution Low / High (Å)*	43.53 / 2.14
*Space group*	H 3
*Cell size a, b, c (Å), α, β, γ (°)*	135.335, 135.335, 235.407, 90, 90, 120
*R / R_free (%)*	17.9 / 22.9

Other elements in 5sk2:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Zinc	(Zn)	4 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole (pdb code 5sk2). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole, PDB code: 5sk2:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in 5sk2

Go back to

Fluorine Binding Sites List in 5sk2

Fluorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
A:F803 b:56.7 occ:1.00	F7	A:KB6803	0.0	56.7	1.0
	C6	A:KB6803	1.3	63.2	1.0
	C1	A:KB6803	2.3	57.5	1.0
	C5	A:KB6803	2.4	60.0	1.0
	CB	A:ALA732	3.2	41.1	1.0
	C2	A:KB6803	3.6	51.4	1.0
	C4	A:KB6803	3.6	58.4	1.0
	C3	A:KB6803	4.0	61.1	1.0
	CA	A:ALA732	4.6	41.3	1.0

Fluorine binding site 2 out of 4 in 5sk2

Go back to

Fluorine Binding Sites List in 5sk2

Fluorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
B:F803 b:73.0 occ:1.00	F7	B:KB6803	0.0	73.0	1.0
	C6	B:KB6803	1.3	67.1	1.0
	C1	B:KB6803	2.3	59.2	1.0
	C5	B:KB6803	2.4	52.8	1.0
	CB	B:ALA732	3.1	38.7	1.0
	C2	B:KB6803	3.5	61.4	1.0
	C4	B:KB6803	3.6	53.2	1.0
	C3	B:KB6803	4.0	61.8	1.0
	CA	B:ALA732	4.5	37.2	1.0

Fluorine binding site 3 out of 4 in 5sk2

Go back to

Fluorine Binding Sites List in 5sk2

Fluorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
C:F803 b:71.7 occ:1.00	F7	C:KB6803	0.0	71.7	1.0
	C6	C:KB6803	1.3	66.6	1.0
	C1	C:KB6803	2.2	62.6	1.0
	C5	C:KB6803	2.4	62.6	1.0
	CB	C:ALA732	3.4	38.7	1.0
	C2	C:KB6803	3.5	64.9	1.0
	C4	C:KB6803	3.6	61.5	1.0
	C3	C:KB6803	4.0	67.7	1.0
	CA	C:ALA732	4.8	37.8	1.0

Fluorine binding site 4 out of 4 in 5sk2

Go back to

Fluorine Binding Sites List in 5sk2

Fluorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole

Mono view

Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-(4- Fluorophenyl)-4-(2-Isoquinolin-3-Yloxyethyl)-5-Methyl-1,3-Oxazole within 5.0Å range:

probe	atom	residue	distance (Å)	B	Occ
D:F803 b:93.9 occ:1.00	F7	D:KB6803	0.0	93.9	1.0
	C6	D:KB6803	1.3	82.8	1.0
	C5	D:KB6803	2.3	68.9	1.0
	C1	D:KB6803	2.3	66.6	1.0
	CB	D:ALA732	2.9	42.4	1.0
	C4	D:KB6803	3.5	62.0	1.0
	C2	D:KB6803	3.6	58.7	1.0
	C3	D:KB6803	4.0	62.4	1.0
	CA	D:ALA732	4.3	46.4	1.0
	O	D:GLY728	4.8	56.9	1.0
	C	D:ALA732	4.9	45.2	1.0
	CG2	D:VAL733	5.0	54.3	1.0

Reference:

A.Flohr, D.Schlatter, B.Kuhn, M.G.Rudolph. Crystal Structure of A Human Phosphodiesterase 10 Complex To Be Published.

Page generated: Tue Jul 15 07:24:54 2025

Last articles

Mg in 7OUH
Mg in 7OUG
Mg in 7OUF
Mg in 7OU4
Mg in 7OU0
Mg in 7OTZ
Mg in 7OTP
Mg in 7OTX
Mg in 7OTO
Mg in 7OTJ

	© Copyright 2008-2020 by atomistry.com
Home \| Site Map \| Copyright \| Contact us \| Privacy