Atomistry » Magnesium » PDB 5sfw-5sh1 » 5sg1
Atomistry »
  Magnesium »
    PDB 5sfw-5sh1 »
      5sg1 »

Magnesium in PDB 5sg1: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline, PDB code: 5sg1 was solved by C.Joseph, J.Benz, A.Flohr, C.Lerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 44.12 / 2.41
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 136.603, 136.603, 237.758, 90, 90, 120
R / Rfree (%) 17.9 / 24.3

Other elements in 5sg1:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline also contains other interesting chemical elements:

Zinc (Zn) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline (pdb code 5sg1). 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 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline, PDB code: 5sg1:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sg1

Go back to Magnesium Binding Sites List in 5sg1
Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline


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 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:44.1
occ:1.00
 O A:HOH934 2.0 42.1 1.0
O A:HOH904 2.0 36.5 1.0
OD1 A:ASP564 2.1 42.8 1.0
O A:HOH915 2.1 44.8 1.0
O A:HOH922 2.1 47.9 1.0
O A:HOH920 2.1 50.4 1.0
CG A:ASP564 3.0 46.8 1.0
OD2 A:ASP564 3.4 52.7 1.0
ZN A:ZN801 3.8 53.4 1.0
O A:HOH913 3.8 49.6 1.0
NE2 A:HIS595 4.1 38.7 1.0
O A:HOH929 4.2 45.9 1.0
OE2 A:GLU592 4.3 49.6 1.0
CD2 A:HIS567 4.3 45.6 1.0
O A:HIS563 4.4 48.0 1.0
CB A:ASP564 4.4 45.0 1.0
OG1 A:THR633 4.4 48.5 1.0
CD2 A:HIS563 4.4 40.2 1.0
CD2 A:HIS595 4.4 44.2 1.0
CD2 A:HIS525 4.4 54.2 1.0
NE2 A:HIS525 4.5 56.9 1.0
NE2 A:HIS563 4.5 39.6 1.0
NE2 A:HIS567 4.6 41.8 1.0
O A:THR633 4.6 45.5 1.0
OD2 A:ASP674 4.7 47.9 1.0
CA A:ASP564 4.8 45.4 1.0
CB A:THR633 4.8 45.2 1.0
CG A:GLU592 5.0 45.5 1.0

Magnesium binding site 2 out of 4 in 5sg1

Go back to Magnesium Binding Sites List in 5sg1
Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline


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 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:42.9
occ:1.00
 O B:HOH915 2.0 37.8 1.0
O B:HOH921 2.0 44.2 1.0
O B:HOH934 2.0 36.4 1.0
O B:HOH920 2.0 39.1 1.0
OD1 B:ASP564 2.1 49.3 1.0
O B:HOH903 2.2 45.4 1.0
CG B:ASP564 3.1 44.4 1.0
OD2 B:ASP564 3.4 46.5 1.0
ZN B:ZN801 3.8 50.6 1.0
OE2 B:GLU592 3.9 49.6 1.0
NE2 B:HIS595 4.0 45.8 1.0
O B:HOH911 4.2 46.5 1.0
CD2 B:HIS563 4.3 40.2 1.0
CD2 B:HIS595 4.3 50.5 1.0
OG1 B:THR633 4.4 48.2 1.0
O B:HIS563 4.4 52.7 1.0
CD2 B:HIS567 4.5 47.1 1.0
CB B:ASP564 4.5 45.3 1.0
OD2 B:ASP674 4.5 48.4 1.0
NE2 B:HIS563 4.6 37.8 1.0
CD2 B:HIS525 4.6 51.6 1.0
O B:THR633 4.6 44.6 1.0
NE2 B:HIS525 4.7 44.6 1.0
NE2 B:HIS567 4.7 50.6 1.0
CA B:ASP564 4.8 49.0 1.0
CD B:GLU592 4.8 49.0 1.0
CB B:THR633 4.9 47.1 1.0
CG B:GLU592 4.9 46.3 1.0

Magnesium binding site 3 out of 4 in 5sg1

Go back to Magnesium Binding Sites List in 5sg1
Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline


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 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:42.4
occ:1.00
 O C:HOH931 1.9 44.8 1.0
O C:HOH908 2.0 39.8 1.0
OD1 C:ASP564 2.1 48.0 1.0
O C:HOH939 2.2 33.9 1.0
O C:HOH951 2.2 38.7 1.0
O C:HOH922 2.2 33.5 1.0
CG C:ASP564 2.9 39.6 1.0
OD2 C:ASP564 3.2 44.5 1.0
ZN C:ZN801 3.6 49.8 1.0
O C:HOH928 3.9 56.2 1.0
CD2 C:HIS563 4.1 34.8 1.0
NE2 C:HIS595 4.2 43.7 1.0
OE2 C:GLU592 4.2 47.3 1.0
O C:HIS563 4.2 41.3 1.0
OG1 C:THR633 4.3 50.4 1.0
CB C:ASP564 4.3 36.9 1.0
OD2 C:ASP674 4.4 39.9 1.0
NE2 C:HIS563 4.4 34.9 1.0
CD2 C:HIS567 4.4 42.6 1.0
O C:HOH935 4.5 45.1 1.0
CD2 C:HIS595 4.5 42.8 1.0
CB C:THR633 4.6 48.3 1.0
NE2 C:HIS525 4.6 52.6 1.0
O C:THR633 4.7 43.5 1.0
CD2 C:HIS525 4.7 45.0 1.0
NE2 C:HIS567 4.7 44.2 1.0
CA C:ASP564 4.8 42.7 1.0

Magnesium binding site 4 out of 4 in 5sg1

Go back to Magnesium Binding Sites List in 5sg1
Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline


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 2-[2- (2-Methyl-5-Pyrrolidin-1-Yl-1,2,4-Triazol-3-Yl)Ethyl]-[1,2, 4]Triazolo[1,5-A]Quinoline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:68.5
occ:1.00
 O D:HOH903 1.9 63.2 1.0
O D:HOH904 2.0 63.5 1.0
OD1 D:ASP564 2.3 68.7 1.0
O D:HOH902 2.5 64.5 1.0
O D:HOH906 2.6 52.4 1.0
CG D:ASP564 3.4 74.0 1.0
OE2 D:GLU592 3.6 76.0 1.0
NE2 D:HIS595 3.6 79.6 1.0
CD2 D:HIS567 3.8 68.1 1.0
OD2 D:ASP564 3.8 89.4 1.0
NE2 D:HIS567 4.0 66.8 1.0
CD2 D:HIS595 4.1 80.1 1.0
ZN D:ZN801 4.5 76.2 1.0
CD D:GLU592 4.6 73.0 1.0
O D:HIS563 4.6 69.8 1.0
CD2 D:HIS525 4.6 81.0 1.0
NE2 D:HIS525 4.7 79.3 1.0
CB D:ASP564 4.7 68.0 1.0
CE1 D:HIS595 4.7 81.2 1.0
OG1 D:THR633 4.8 77.4 1.0
O D:THR633 4.9 65.8 1.0
CA D:ASP564 4.9 67.1 1.0
CG D:GLU592 5.0 69.0 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 03:40:50 2024

Last articles

Ca in 5S8P
Ca in 5S8O
Ca in 5S67
Ca in 5S65
Ca in 5S64
Ca in 5S63
Ca in 5S60
Ca in 5S61
Ca in 5S62
Ca in 5S5Z
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy