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Chlorine in PDB 5skg: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide, PDB code: 5skg 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) 43.51 / 2.03
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.253, 135.253, 234.974, 90, 90, 120
R / Rfree (%) 18.4 / 22.2

Other elements in 5skg:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide (pdb code 5skg). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide, PDB code: 5skg:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 5skg

Go back to Chlorine Binding Sites List in 5skg
Chlorine binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl803

b:57.4
occ:1.00
 CL25 A:KFI803 0.0 57.4 1.0
C21 A:KFI803 1.7 49.8 1.0
C20 A:KFI803 2.7 47.2 1.0
N22 A:KFI803 2.7 48.4 1.0
O A:HOH960 3.4 29.7 1.0
O A:LEU675 3.4 25.2 1.0
CA A:LEU675 3.7 28.3 1.0
OH A:TYR524 3.8 34.0 1.0
CB A:SER677 3.8 39.4 1.0
C A:LEU675 3.8 27.0 1.0
O A:HOH942 3.8 28.9 1.0
C18 A:KFI803 3.9 51.1 1.0
C23 A:KFI803 3.9 50.3 1.0
CD1 A:ILE692 4.0 39.5 1.0
OG A:SER677 4.1 52.9 1.0
CD2 A:LEU675 4.1 33.7 1.0
CG1 A:VAL678 4.2 32.8 1.0
O A:ASP674 4.3 27.6 1.0
CB A:LEU675 4.4 31.1 1.0
C24 A:KFI803 4.4 50.0 1.0
N A:SER677 4.4 32.0 1.0
CA A:SER677 4.6 35.6 1.0
N A:VAL678 4.7 32.2 1.0
CZ A:TYR524 4.7 32.2 1.0
N A:CYS676 4.8 26.3 1.0
N A:LEU675 4.8 27.1 1.0
CG A:LEU675 4.9 32.1 1.0
CE2 A:PHE729 4.9 33.5 1.0

Chlorine binding site 2 out of 4 in 5skg

Go back to Chlorine Binding Sites List in 5skg
Chlorine binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl803

b:63.4
occ:1.00
 CL25 B:KFI803 0.0 63.4 1.0
C21 B:KFI803 1.7 63.3 1.0
C20 B:KFI803 2.7 60.9 1.0
N22 B:KFI803 2.7 59.6 1.0
O B:HOH921 3.0 36.5 1.0
CB B:SER677 3.5 39.5 1.0
O B:LEU675 3.5 26.6 1.0
OH B:TYR524 3.7 35.0 1.0
CA B:LEU675 3.7 26.8 1.0
C B:LEU675 3.8 27.4 1.0
OG B:SER677 3.9 48.6 1.0
CD1 B:ILE692 3.9 36.5 1.0
C18 B:KFI803 3.9 60.7 1.0
O B:HOH975 3.9 34.9 1.0
C23 B:KFI803 3.9 61.3 1.0
CD2 B:LEU675 4.1 29.3 1.0
CG1 B:VAL678 4.2 34.5 1.0
O B:ASP674 4.2 23.4 1.0
N B:SER677 4.3 32.3 1.0
CA B:SER677 4.4 36.0 1.0
C24 B:KFI803 4.4 60.5 1.0
CB B:LEU675 4.4 28.3 1.0
CZ B:TYR524 4.6 33.0 1.0
N B:VAL678 4.6 34.6 1.0
N B:CYS676 4.8 29.5 1.0
N B:LEU675 4.8 24.9 1.0
CG B:LEU675 4.9 28.8 1.0
C B:SER677 4.9 35.8 1.0
C B:ASP674 5.0 26.2 1.0

Chlorine binding site 3 out of 4 in 5skg

Go back to Chlorine Binding Sites List in 5skg
Chlorine binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Cl803

b:68.7
occ:1.00
 CL25 C:KFI803 0.0 68.7 1.0
C21 C:KFI803 1.7 60.7 1.0
N22 C:KFI803 2.7 63.5 1.0
C20 C:KFI803 2.7 61.6 1.0
OG C:SER677 2.7 47.3 1.0
O C:HOH946 3.2 37.3 1.0
O C:LEU675 3.6 30.2 1.0
OH C:TYR524 3.6 33.6 1.0
CA C:LEU675 3.8 28.5 1.0
CB C:SER677 3.8 40.5 1.0
CD1 C:ILE692 3.8 38.7 1.0
C18 C:KFI803 3.9 65.6 1.0
C C:LEU675 3.9 27.9 1.0
C23 C:KFI803 3.9 63.5 1.0
O C:HOH943 4.0 35.7 1.0
CG1 C:VAL678 4.1 36.3 1.0
CD2 C:LEU675 4.3 35.3 1.0
O C:ASP674 4.3 29.8 1.0
N C:SER677 4.4 32.3 1.0
C24 C:KFI803 4.4 63.8 1.0
CB C:LEU675 4.5 29.4 1.0
CZ C:TYR524 4.5 32.9 1.0
CA C:SER677 4.5 37.5 1.0
N C:VAL678 4.6 34.9 1.0
N C:CYS676 4.9 29.1 1.0
N C:LEU675 4.9 28.2 1.0
C C:SER677 4.9 35.8 1.0

Chlorine binding site 4 out of 4 in 5skg

Go back to Chlorine Binding Sites List in 5skg
Chlorine binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-6-(Cyclopropylamino)-N-(2-Phenyl-[1,2,4]Triazolo[1,5- A]Pyridin-7-Yl)Pyridine-4-Carboxamide within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl803

b:76.1
occ:1.00
 CL25 D:KFI803 0.0 76.1 1.0
C21 D:KFI803 1.7 72.3 1.0
OG D:SER677 2.6 57.1 1.0
N22 D:KFI803 2.6 70.4 1.0
C20 D:KFI803 2.7 72.2 1.0
O D:HOH919 3.0 43.1 1.0
O D:LEU675 3.4 38.1 1.0
CA D:LEU675 3.7 38.2 1.0
OH D:TYR524 3.7 45.8 1.0
C D:LEU675 3.8 37.5 1.0
CB D:SER677 3.9 47.9 1.0
C23 D:KFI803 3.9 75.3 1.0
CD1 D:ILE692 3.9 44.6 1.0
C18 D:KFI803 3.9 77.5 1.0
O D:HOH965 4.0 40.2 1.0
CG1 D:VAL678 4.3 45.1 1.0
N D:SER677 4.3 38.0 1.0
O D:ASP674 4.3 35.1 1.0
CD2 D:LEU675 4.3 44.8 1.0
CB D:LEU675 4.4 40.8 1.0
C24 D:KFI803 4.4 74.7 1.0
N D:VAL678 4.5 39.9 1.0
CA D:SER677 4.5 44.0 1.0
CZ D:TYR524 4.6 39.7 1.0
N D:CYS676 4.7 36.1 1.0
N D:LEU675 4.8 35.9 1.0
C D:SER677 4.9 41.4 1.0
C D:ASP674 5.0 35.4 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: Sat Jul 12 08:34:43 2025

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