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Zinc in PDB 5sj2: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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 2,3- Dichloro-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 2,3- Dichloro-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 2,3- Dichloro-N-(2-Phenyl-[1,2,4]Triazolo[1,5-A]Pyridin-7-Yl)Pyridine-4- Carboxamide, PDB code: 5sj2 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) 43.77 / 1.99
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.7, 135.7, 235.82, 90, 90, 120
R / Rfree (%) 17.6 / 21.8

Other elements in 5sj2:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-N-(2-Phenyl-[1,2,4]Triazolo[1,5-A]Pyridin-7-Yl)Pyridine-4- Carboxamide also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Chlorine (Cl) 8 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-N-(2-Phenyl-[1,2,4]Triazolo[1,5-A]Pyridin-7-Yl)Pyridine-4- Carboxamide (pdb code 5sj2). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-N-(2-Phenyl-[1,2,4]Triazolo[1,5-A]Pyridin-7-Yl)Pyridine-4- Carboxamide, PDB code: 5sj2:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sj2

Go back to Zinc Binding Sites List in 5sj2
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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 Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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:Zn801

b:32.2
occ:1.00
 OD2 A:ASP564 2.1 29.8 1.0
O A:HOH983 2.1 25.6 1.0
O A:HOH1013 2.2 39.5 1.0
NE2 A:HIS529 2.2 27.0 1.0
OD1 A:ASP674 2.2 30.3 1.0
NE2 A:HIS563 2.2 26.2 1.0
CD2 A:HIS563 3.0 23.9 1.0
CG A:ASP564 3.1 26.8 1.0
CG A:ASP674 3.1 28.8 1.0
CD2 A:HIS529 3.1 26.7 1.0
CE1 A:HIS529 3.2 26.5 1.0
CE1 A:HIS563 3.3 29.7 1.0
OD2 A:ASP674 3.4 30.2 1.0
OD1 A:ASP564 3.6 25.5 1.0
MG A:MG802 3.7 27.6 1.0
O A:HOH1025 4.0 27.4 1.0
CD2 A:HIS525 4.1 30.8 1.0
CG A:HIS563 4.2 25.6 1.0
CB A:ASP564 4.3 27.1 1.0
CG A:HIS529 4.3 26.2 1.0
ND1 A:HIS529 4.3 26.4 1.0
ND1 A:HIS563 4.3 28.0 1.0
O A:HOH960 4.3 35.7 1.0
O A:HOH1016 4.3 52.5 1.0
CB A:ASP674 4.4 26.2 1.0
NE2 A:HIS525 4.5 30.9 1.0
O A:HOH935 4.5 23.9 1.0
CG2 A:VAL533 4.8 26.0 1.0
O A:ASP674 4.8 29.3 1.0
CA A:ASP674 4.9 25.1 1.0

Zinc binding site 2 out of 4 in 5sj2

Go back to Zinc Binding Sites List in 5sj2
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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 Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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:Zn801

b:30.4
occ:1.00
 OD1 B:ASP674 2.1 24.2 1.0
O B:HOH960 2.1 21.1 1.0
OD2 B:ASP564 2.2 25.8 1.0
NE2 B:HIS529 2.2 23.7 1.0
NE2 B:HIS563 2.2 23.4 1.0
O B:HOH986 2.3 42.5 1.0
CG B:ASP674 3.0 25.9 1.0
CD2 B:HIS563 3.1 24.4 1.0
CD2 B:HIS529 3.1 26.4 1.0
CG B:ASP564 3.2 26.0 1.0
CE1 B:HIS529 3.2 26.9 1.0
CE1 B:HIS563 3.3 24.1 1.0
OD2 B:ASP674 3.3 27.1 1.0
OD1 B:ASP564 3.6 26.4 1.0
MG B:MG802 3.7 25.0 1.0
O B:HOH1012 4.0 26.2 1.0
CD2 B:HIS525 4.1 27.5 1.0
O B:HOH975 4.2 38.5 1.0
CG B:HIS563 4.3 25.5 1.0
CG B:HIS529 4.3 23.7 1.0
ND1 B:HIS529 4.3 23.3 1.0
ND1 B:HIS563 4.3 24.4 1.0
CB B:ASP564 4.4 24.1 1.0
CB B:ASP674 4.4 25.6 1.0
NE2 B:HIS525 4.4 28.0 1.0
O B:HOH1042 4.5 45.2 1.0
O B:HOH957 4.5 26.1 1.0
CG2 B:VAL533 4.7 25.6 1.0
CA B:ASP674 4.8 26.3 1.0
O B:ASP674 4.9 25.7 1.0

Zinc binding site 3 out of 4 in 5sj2

Go back to Zinc Binding Sites List in 5sj2
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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 Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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:Zn801

b:32.3
occ:1.00
 O C:HOH1006 2.0 27.7 1.0
NE2 C:HIS529 2.1 27.9 1.0
OD2 C:ASP564 2.2 26.6 1.0
NE2 C:HIS563 2.2 29.8 1.0
OD1 C:ASP674 2.2 24.4 1.0
O C:HOH1010 2.3 40.2 1.0
CD2 C:HIS563 3.1 25.7 1.0
CD2 C:HIS529 3.1 29.3 1.0
CG C:ASP674 3.1 28.2 1.0
CE1 C:HIS529 3.1 29.7 1.0
CG C:ASP564 3.2 26.1 1.0
CE1 C:HIS563 3.3 25.1 1.0
OD2 C:ASP674 3.4 36.5 1.0
OD1 C:ASP564 3.6 24.8 1.0
MG C:MG802 3.8 27.8 1.0
O C:HOH1033 4.0 25.6 1.0
CD2 C:HIS525 4.1 28.7 1.0
ND1 C:HIS529 4.3 26.1 1.0
CG C:HIS529 4.3 27.0 1.0
CG C:HIS563 4.3 23.8 1.0
O C:HOH987 4.3 40.9 1.0
ND1 C:HIS563 4.4 26.9 1.0
CB C:ASP564 4.4 24.8 1.0
O C:HOH1041 4.4 45.3 1.0
CB C:ASP674 4.4 30.5 1.0
NE2 C:HIS525 4.5 30.0 1.0
O C:HOH957 4.6 27.5 1.0
CG2 C:VAL533 4.8 26.5 1.0
CA C:ASP674 4.9 29.6 1.0
O C:ASP674 4.9 29.9 1.0

Zinc binding site 4 out of 4 in 5sj2

Go back to Zinc Binding Sites List in 5sj2
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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 Zinc with other atoms in the Zn binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3- Dichloro-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:Zn801

b:36.1
occ:1.00
 O D:HOH940 1.9 26.4 1.0
NE2 D:HIS563 2.2 25.9 1.0
NE2 D:HIS529 2.2 32.9 1.0
OD2 D:ASP564 2.2 34.6 1.0
OD1 D:ASP674 2.2 32.5 1.0
O D:HOH967 2.3 40.2 1.0
CD2 D:HIS563 3.0 28.2 1.0
CG D:ASP674 3.1 35.1 1.0
CG D:ASP564 3.1 31.8 1.0
CD2 D:HIS529 3.2 35.0 1.0
CE1 D:HIS529 3.2 35.0 1.0
OD2 D:ASP674 3.3 36.9 1.0
CE1 D:HIS563 3.3 30.8 1.0
OD1 D:ASP564 3.5 31.9 1.0
MG D:MG802 3.7 33.1 1.0
O D:HOH976 4.0 31.5 1.0
CD2 D:HIS525 4.1 35.1 1.0
CG D:HIS563 4.2 26.4 1.0
O D:HOH951 4.3 44.3 1.0
ND1 D:HIS529 4.3 33.2 1.0
CB D:ASP564 4.3 30.5 1.0
CG D:HIS529 4.3 33.1 1.0
ND1 D:HIS563 4.4 27.6 1.0
NE2 D:HIS525 4.5 42.3 1.0
CB D:ASP674 4.5 31.6 1.0
O D:HOH932 4.6 31.0 1.0
O D:ASP674 4.8 30.0 1.0
CG2 D:VAL533 4.8 34.1 1.0
CA D:ASP674 4.9 30.7 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: Mon Oct 28 05:53:47 2024

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