Atomistry » Zinc » PDB 5si5-5sj9 » 5sj3
Atomistry »
  Zinc »
    PDB 5si5-5sj9 »
      5sj3 »

Zinc in PDB 5sj3: Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone, PDB code: 5sj3 was solved by C.Joseph, J.Benz, A.Flohr, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.60 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.56, 135.56, 235.55, 90, 90, 120
R / Rfree (%) 17.2 / 23.4

Other elements in 5sj3:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone also contains other interesting chemical elements:

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

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone (pdb code 5sj3). 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 [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone, PDB code: 5sj3:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sj3

Go back to Zinc Binding Sites List in 5sj3
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone


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 [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:30.0
occ:1.00
NE2 A:HIS529 2.1 24.0 1.0
O A:HOH975 2.1 26.5 1.0
OD2 A:ASP564 2.2 31.4 1.0
OD1 A:ASP674 2.2 31.2 1.0
NE2 A:HIS563 2.2 23.1 1.0
O A:HOH956 2.3 30.8 1.0
CD2 A:HIS529 3.0 24.2 1.0
CD2 A:HIS563 3.0 23.4 1.0
CG A:ASP674 3.1 28.6 1.0
CG A:ASP564 3.2 30.9 1.0
CE1 A:HIS529 3.2 24.7 1.0
CE1 A:HIS563 3.3 25.4 1.0
OD2 A:ASP674 3.4 35.1 1.0
OD1 A:ASP564 3.7 26.8 1.0
MG A:MG802 3.9 28.6 1.0
CD2 A:HIS525 4.1 26.7 1.0
O A:HOH1002 4.2 22.6 1.0
CG A:HIS529 4.2 23.2 1.0
CG A:HIS563 4.2 21.6 1.0
O A:HOH939 4.3 30.1 1.0
ND1 A:HIS529 4.3 21.3 1.0
ND1 A:HIS563 4.3 24.2 1.0
CB A:ASP564 4.4 27.5 1.0
NE2 A:HIS525 4.4 27.7 1.0
CB A:ASP674 4.5 26.7 1.0
O A:HOH928 4.5 22.4 1.0
CG2 A:VAL533 4.7 20.3 1.0
O A:HOH1029 4.8 46.4 1.0
O A:ASP674 4.8 28.3 1.0
CA A:ASP674 4.9 25.5 1.0

Zinc binding site 2 out of 4 in 5sj3

Go back to Zinc Binding Sites List in 5sj3
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone


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 [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:28.1
occ:1.00
NE2 B:HIS529 2.0 22.1 1.0
OD1 B:ASP674 2.1 25.2 1.0
NE2 B:HIS563 2.1 21.0 1.0
OD2 B:ASP564 2.2 25.2 1.0
O B:HOH919 2.2 16.5 1.0
O B:HOH947 2.5 28.4 1.0
CD2 B:HIS529 3.0 24.4 1.0
CG B:ASP674 3.0 25.9 1.0
CE1 B:HIS529 3.1 21.9 1.0
CD2 B:HIS563 3.1 21.2 1.0
CE1 B:HIS563 3.2 20.5 1.0
CG B:ASP564 3.2 25.3 1.0
OD2 B:ASP674 3.3 25.7 1.0
OD1 B:ASP564 3.8 26.2 1.0
MG B:MG802 3.8 21.0 1.0
O B:HOH1012 4.0 21.4 1.0
O B:HOH936 4.1 26.0 1.0
CD2 B:HIS525 4.1 20.3 1.0
CG B:HIS529 4.2 20.6 1.0
ND1 B:HIS529 4.2 17.9 1.0
CG B:HIS563 4.2 21.5 1.0
ND1 B:HIS563 4.2 21.1 1.0
CB B:ASP564 4.4 23.0 1.0
CB B:ASP674 4.4 24.5 1.0
O B:HOH1058 4.4 59.2 1.0
NE2 B:HIS525 4.4 25.4 1.0
CG2 B:VAL533 4.6 16.8 1.0
O B:HOH961 4.7 21.8 1.0
O B:ASP674 4.8 23.8 1.0
CA B:ASP674 4.8 22.8 1.0

Zinc binding site 3 out of 4 in 5sj3

Go back to Zinc Binding Sites List in 5sj3
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone


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 [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:29.4
occ:1.00
NE2 C:HIS529 2.1 21.3 1.0
OD2 C:ASP564 2.2 22.7 1.0
OD1 C:ASP674 2.2 23.6 1.0
O C:HOH953 2.2 19.3 1.0
NE2 C:HIS563 2.3 22.5 1.0
O C:HOH965 2.4 39.1 1.0
CG C:ASP674 3.0 25.2 1.0
CD2 C:HIS563 3.1 21.1 1.0
CD2 C:HIS529 3.1 22.9 1.0
CE1 C:HIS529 3.1 24.9 1.0
CG C:ASP564 3.2 24.0 1.0
OD2 C:ASP674 3.3 27.1 1.0
CE1 C:HIS563 3.3 22.9 1.0
OD1 C:ASP564 3.7 23.4 1.0
MG C:MG802 3.8 25.5 1.0
O C:HOH1008 4.0 25.7 1.0
CD2 C:HIS525 4.2 28.5 1.0
O C:HOH980 4.2 31.8 1.0
ND1 C:HIS529 4.2 24.0 1.0
CG C:HIS563 4.3 23.8 1.0
CG C:HIS529 4.3 23.3 1.0
ND1 C:HIS563 4.4 24.4 1.0
CB C:ASP674 4.4 25.3 1.0
CB C:ASP564 4.4 22.2 1.0
NE2 C:HIS525 4.4 29.9 1.0
O C:HOH950 4.5 28.7 1.0
CG2 C:VAL533 4.7 22.6 1.0
CA C:ASP674 4.7 23.7 1.0
O C:ASP674 4.8 26.7 1.0

Zinc binding site 4 out of 4 in 5sj3

Go back to Zinc Binding Sites List in 5sj3
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone


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 [1-(4- Chlorophenyl)-3-Methylthieno[2,3-C]Pyrazol-5-Yl]-Piperidin-1- Ylmethanone within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:35.9
occ:1.00
O D:HOH952 2.0 27.8 1.0
NE2 D:HIS563 2.1 23.4 1.0
NE2 D:HIS529 2.3 28.9 1.0
OD2 D:ASP564 2.3 34.7 1.0
OD1 D:ASP674 2.3 31.2 1.0
O D:HOH919 2.5 38.0 1.0
CD2 D:HIS563 2.9 24.9 1.0
CG D:ASP674 3.1 31.5 1.0
CD2 D:HIS529 3.2 30.5 1.0
CG D:ASP564 3.2 28.1 1.0
CE1 D:HIS563 3.2 26.1 1.0
CE1 D:HIS529 3.3 31.0 1.0
OD2 D:ASP674 3.3 31.0 1.0
OD1 D:ASP564 3.7 29.6 1.0
MG D:MG802 3.8 32.4 1.0
CG D:HIS563 4.1 24.5 1.0
CD2 D:HIS525 4.2 35.1 1.0
ND1 D:HIS563 4.2 21.8 1.0
O D:HOH977 4.3 24.7 1.0
CB D:ASP564 4.3 28.0 1.0
O D:HOH907 4.3 33.2 1.0
CG D:HIS529 4.3 28.0 1.0
ND1 D:HIS529 4.4 31.5 1.0
CB D:ASP674 4.5 32.0 1.0
O D:HOH941 4.5 31.2 1.0
NE2 D:HIS525 4.6 43.3 1.0
CG2 D:VAL533 4.7 32.4 1.0
O D:ASP674 4.8 33.7 1.0
CA D:ASP674 4.9 31.9 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 05:54:47 2024

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy