Atomistry » Magnesium » PDB 5sfw-5sh1 » 5sgb
Atomistry »
  Magnesium »
    PDB 5sfw-5sh1 »
      5sgb »

Magnesium in PDB 5sgb: Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole, PDB code: 5sgb 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) 43.49 / 2.39
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.099, 135.099, 234.258, 90, 90, 120
R / Rfree (%) 17.9 / 24.2

Other elements in 5sgb:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms
Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole (pdb code 5sgb). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole, PDB code: 5sgb:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sgb

Go back to Magnesium Binding Sites List in 5sgb
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:28.4
occ:1.00
O A:HOH993 1.9 28.3 1.0
O A:HOH949 1.9 29.5 1.0
O A:HOH930 2.0 31.1 1.0
OD1 A:ASP564 2.0 28.5 1.0
O A:HOH925 2.1 28.2 1.0
O A:HOH946 2.1 26.2 1.0
CG A:ASP564 2.9 29.1 1.0
OD2 A:ASP564 3.2 30.6 1.0
ZN A:ZN801 3.8 33.6 1.0
NE2 A:HIS595 4.0 30.8 1.0
OE2 A:GLU592 4.0 38.4 1.0
O A:HOH977 4.1 34.0 1.0
CD2 A:HIS567 4.2 34.9 1.0
O A:HOH951 4.3 31.2 1.0
CD2 A:HIS595 4.3 30.7 1.0
OG1 A:THR633 4.3 32.4 1.0
CB A:ASP564 4.3 28.5 1.0
CD2 A:HIS563 4.3 26.0 1.0
O A:THR633 4.4 34.4 1.0
NE2 A:HIS567 4.5 37.5 1.0
O A:HOH1007 4.5 53.4 1.0
O A:HIS563 4.5 32.7 1.0
OD2 A:ASP674 4.5 45.7 1.0
CD2 A:HIS525 4.6 36.2 1.0
NE2 A:HIS563 4.7 25.0 1.0
CA A:ASP564 4.7 29.6 1.0
NE2 A:HIS525 4.7 33.2 1.0
CB A:THR633 4.8 31.7 1.0
CD A:GLU592 4.9 36.9 1.0
CG A:GLU592 4.9 32.7 1.0

Magnesium binding site 2 out of 4 in 5sgb

Go back to Magnesium Binding Sites List in 5sgb
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:24.9
occ:1.00
O B:HOH921 1.8 28.4 1.0
O B:HOH938 2.0 23.5 1.0
O B:HOH987 2.0 23.9 1.0
O B:HOH960 2.0 23.5 1.0
O B:HOH905 2.1 19.4 1.0
OD1 B:ASP564 2.2 29.9 1.0
CG B:ASP564 3.2 28.9 1.0
OD2 B:ASP564 3.6 34.0 1.0
ZN B:ZN801 3.9 35.1 1.0
OE2 B:GLU592 3.9 35.9 1.0
OG1 B:THR633 4.0 28.4 1.0
O B:HOH1005 4.1 60.0 1.0
NE2 B:HIS595 4.1 31.5 1.0
O B:HOH945 4.1 35.8 1.0
CD2 B:HIS563 4.3 28.2 1.0
OD2 B:ASP674 4.3 35.5 1.0
CD2 B:HIS595 4.4 34.8 1.0
CD2 B:HIS567 4.4 31.3 1.0
O B:HIS563 4.4 36.0 1.0
O B:HOH997 4.5 38.3 1.0
NE2 B:HIS567 4.5 32.5 1.0
O B:THR633 4.5 33.3 1.0
CB B:ASP564 4.5 28.7 1.0
NE2 B:HIS563 4.6 28.5 1.0
CD2 B:HIS525 4.7 33.9 1.0
CB B:THR633 4.7 30.2 1.0
CG B:GLU592 4.7 32.3 1.0
CD B:GLU592 4.8 31.4 1.0
NE2 B:HIS525 4.8 34.2 1.0
CA B:ASP564 4.8 30.4 1.0

Magnesium binding site 3 out of 4 in 5sgb

Go back to Magnesium Binding Sites List in 5sgb
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:27.6
occ:1.00
O C:HOH1004 1.9 25.9 1.0
O C:HOH909 1.9 28.3 1.0
O C:HOH950 2.0 24.4 1.0
O C:HOH976 2.0 29.3 1.0
OD1 C:ASP564 2.2 28.6 1.0
O C:HOH936 2.2 19.6 1.0
CG C:ASP564 3.1 30.2 1.0
OD2 C:ASP564 3.4 32.8 1.0
ZN C:ZN801 3.8 36.0 1.0
O C:HOH972 4.0 39.6 1.0
OE2 C:GLU592 4.0 31.1 1.0
NE2 C:HIS595 4.1 30.8 1.0
CD2 C:HIS567 4.2 36.6 1.0
CD2 C:HIS563 4.2 26.8 1.0
OG1 C:THR633 4.3 32.8 1.0
O C:HOH958 4.3 43.8 1.0
OD2 C:ASP674 4.3 30.3 1.0
CD2 C:HIS595 4.4 28.6 1.0
O C:HIS563 4.4 26.2 1.0
NE2 C:HIS567 4.4 36.4 1.0
CB C:ASP564 4.5 28.3 1.0
O C:THR633 4.5 35.5 1.0
NE2 C:HIS563 4.6 29.3 1.0
CB C:THR633 4.7 31.9 1.0
CD2 C:HIS525 4.7 39.8 1.0
NE2 C:HIS525 4.8 39.4 1.0
CG C:GLU592 4.8 30.8 1.0
CD C:GLU592 4.8 34.9 1.0
CA C:ASP564 4.9 28.6 1.0

Magnesium binding site 4 out of 4 in 5sgb

Go back to Magnesium Binding Sites List in 5sgb
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-(4- Chloronaphthalen-1-Yl)Oxythiadiazole within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:47.3
occ:1.00
O D:HOH925 1.9 34.0 1.0
O D:HOH916 1.9 45.5 1.0
O D:HOH909 2.0 38.5 1.0
O D:HOH929 2.0 37.2 1.0
O D:HOH946 2.1 41.0 1.0
OD1 D:ASP564 2.3 42.6 1.0
CG D:ASP564 3.2 43.0 1.0
OD2 D:ASP564 3.5 49.9 1.0
ZN D:ZN801 3.8 47.0 1.0
O D:HOH935 3.9 39.4 1.0
OE2 D:GLU592 3.9 47.5 1.0
O D:HOH941 3.9 39.2 1.0
OG1 D:THR633 4.1 38.1 1.0
OD2 D:ASP674 4.2 48.3 1.0
NE2 D:HIS595 4.2 45.4 1.0
O D:THR633 4.3 45.7 1.0
CD2 D:HIS563 4.3 38.2 1.0
CD2 D:HIS567 4.4 44.5 1.0
O D:HIS563 4.4 42.9 1.0
CD2 D:HIS595 4.4 46.2 1.0
NE2 D:HIS567 4.5 47.4 1.0
CB D:ASP564 4.6 42.0 1.0
CB D:THR633 4.7 38.8 1.0
NE2 D:HIS563 4.7 37.8 1.0
O D:HOH953 4.8 44.5 1.0
CA D:ASP564 4.9 40.5 1.0
CD D:GLU592 4.9 50.7 1.0
CD2 D:HIS525 4.9 55.7 1.0
NE2 D:HIS525 5.0 53.5 1.0
CG D:GLU592 5.0 49.3 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: Mon Sep 30 03:43:46 2024

Last articles

Cl in 3NU4
Cl in 3NU3
Cl in 3NTY
Cl in 3NTD
Cl in 3NTN
Cl in 3NTA
Cl in 3NT6
Cl in 3NT1
Cl in 3NRA
Cl in 3NSJ
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy