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Magnesium in PDB 5sge: Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One, PDB code: 5sge was solved by C.Joseph, J.Benz, A.Flohr, W.Hunkeler, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 34.98 / 2.20
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.338, 135.338, 234.927, 90, 90, 120
R / Rfree (%) 18.2 / 22.4

Other elements in 5sge:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One 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 6H- Imidazo[1,2-C]Quinazolin-5-One (pdb code 5sge). 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 6H- Imidazo[1,2-C]Quinazolin-5-One, PDB code: 5sge:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5sge

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Magnesium binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One


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 6H- Imidazo[1,2-C]Quinazolin-5-One within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg802

b:32.5
occ:1.00
 O A:HOH979 1.9 29.5 1.0
O A:HOH908 2.0 31.4 1.0
O A:HOH930 2.0 28.9 1.0
OD1 A:ASP564 2.1 29.2 1.0
O A:HOH917 2.1 36.0 1.0
O A:HOH934 2.2 28.3 1.0
CG A:ASP564 3.1 31.6 1.0
OD2 A:ASP564 3.4 35.5 1.0
ZN A:ZN801 3.8 36.5 1.0
O A:HOH983 3.9 53.6 1.0
O A:HOH966 3.9 35.9 1.0
OE2 A:GLU592 3.9 42.4 1.0
NE2 A:HIS595 4.1 30.5 1.0
O A:HOH954 4.2 43.2 1.0
CD2 A:HIS567 4.2 37.1 1.0
CD2 A:HIS563 4.3 32.1 1.0
O A:THR633 4.4 39.4 1.0
CB A:ASP564 4.4 31.1 1.0
CD2 A:HIS595 4.4 30.6 1.0
OD2 A:ASP674 4.4 39.6 1.0
OG1 A:THR633 4.4 35.8 1.0
NE2 A:HIS567 4.5 38.5 1.0
CD2 A:HIS525 4.5 36.5 1.0
O A:HIS563 4.6 31.9 1.0
NE2 A:HIS525 4.6 36.5 1.0
NE2 A:HIS563 4.6 31.2 1.0
CB A:THR633 4.8 35.5 1.0
CA A:ASP564 4.8 32.9 1.0
CD A:GLU592 4.8 38.7 1.0
O A:HOH991 4.9 39.8 1.0
CG A:GLU592 4.9 37.0 1.0

Magnesium binding site 2 out of 4 in 5sge

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Magnesium binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One


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 6H- Imidazo[1,2-C]Quinazolin-5-One within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg802

b:33.5
occ:1.00
 O B:HOH928 1.9 30.9 1.0
O B:HOH951 1.9 28.2 1.0
O B:HOH976 2.0 32.0 1.0
O B:HOH947 2.1 28.1 1.0
OD1 B:ASP564 2.1 30.5 1.0
O B:HOH916 2.2 27.5 1.0
CG B:ASP564 3.1 30.8 1.0
OD2 B:ASP564 3.4 32.9 1.0
O B:HOH985 3.7 50.7 1.0
ZN B:ZN801 3.8 36.9 1.0
O B:HOH931 4.0 37.6 1.0
NE2 B:HIS595 4.0 33.9 1.0
O B:HOH921 4.1 42.8 1.0
CD2 B:HIS567 4.1 31.6 1.0
OE2 B:GLU592 4.1 32.6 1.0
OG1 B:THR633 4.2 33.1 1.0
NE2 B:HIS567 4.2 34.3 1.0
CD2 B:HIS563 4.3 30.1 1.0
CD2 B:HIS595 4.3 38.6 1.0
O B:HIS563 4.4 34.9 1.0
OD2 B:ASP674 4.4 38.1 1.0
CB B:ASP564 4.4 32.3 1.0
O B:THR633 4.5 33.1 1.0
CD2 B:HIS525 4.5 37.1 1.0
NE2 B:HIS525 4.6 38.5 1.0
NE2 B:HIS563 4.6 28.1 1.0
CA B:ASP564 4.8 32.5 1.0
CB B:THR633 4.8 33.1 1.0
CG B:GLU592 4.9 33.7 1.0
CD B:GLU592 4.9 32.4 1.0

Magnesium binding site 3 out of 4 in 5sge

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Magnesium binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One


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 6H- Imidazo[1,2-C]Quinazolin-5-One within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg802

b:31.8
occ:1.00
 O C:HOH906 1.9 31.5 1.0
O C:HOH969 2.0 32.1 1.0
O C:HOH1004 2.0 30.7 1.0
O C:HOH946 2.1 27.9 1.0
OD1 C:ASP564 2.1 32.6 1.0
O C:HOH941 2.1 28.2 1.0
CG C:ASP564 3.1 33.3 1.0
OD2 C:ASP564 3.4 31.9 1.0
ZN C:ZN801 3.8 37.0 1.0
O C:HOH988 3.8 38.4 1.0
NE2 C:HIS595 4.1 34.2 1.0
CD2 C:HIS567 4.1 35.0 1.0
OE2 C:GLU592 4.1 36.5 1.0
O C:HOH967 4.1 40.2 1.0
CD2 C:HIS563 4.1 32.4 1.0
O C:HOH1009 4.2 52.1 1.0
OG1 C:THR633 4.3 34.0 1.0
O C:HIS563 4.3 32.5 1.0
NE2 C:HIS567 4.3 37.1 1.0
CD2 C:HIS595 4.3 36.1 1.0
OD2 C:ASP674 4.4 34.4 1.0
CB C:ASP564 4.4 33.4 1.0
NE2 C:HIS563 4.5 35.2 1.0
O C:THR633 4.5 37.2 1.0
CD2 C:HIS525 4.7 39.1 1.0
CB C:THR633 4.8 33.3 1.0
CA C:ASP564 4.8 34.1 1.0
NE2 C:HIS525 4.8 41.5 1.0
CG C:GLU592 4.8 33.2 1.0
CD C:GLU592 4.9 35.0 1.0

Magnesium binding site 4 out of 4 in 5sge

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Magnesium binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 6H- Imidazo[1,2-C]Quinazolin-5-One


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 6H- Imidazo[1,2-C]Quinazolin-5-One within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Mg802

b:47.6
occ:1.00
 O D:HOH945 1.9 45.2 1.0
O D:HOH912 2.1 43.5 1.0
O D:HOH926 2.1 32.8 1.0
O D:HOH944 2.1 39.2 1.0
O D:HOH904 2.1 43.9 1.0
OD1 D:ASP564 2.2 44.5 1.0
CG D:ASP564 3.2 41.7 1.0
OD2 D:ASP564 3.6 47.3 1.0
O D:HOH946 3.8 44.1 1.0
ZN D:ZN801 3.8 48.4 1.0
O D:HOH938 3.8 50.5 1.0
OE2 D:GLU592 4.0 49.3 1.0
NE2 D:HIS595 4.2 49.5 1.0
CD2 D:HIS567 4.2 47.8 1.0
OG1 D:THR633 4.3 45.1 1.0
OD2 D:ASP674 4.4 44.5 1.0
NE2 D:HIS567 4.4 46.8 1.0
CD2 D:HIS563 4.4 41.5 1.0
O D:THR633 4.4 52.0 1.0
CD2 D:HIS595 4.4 45.8 1.0
O D:HIS563 4.5 41.2 1.0
CB D:ASP564 4.6 43.8 1.0
CD2 D:HIS525 4.6 55.5 1.0
CB D:THR633 4.7 47.7 1.0
NE2 D:HIS525 4.8 53.5 1.0
NE2 D:HIS563 4.8 38.8 1.0
O D:HOH947 4.9 47.6 1.0
CD D:GLU592 4.9 47.1 1.0
CA D:ASP564 4.9 41.7 1.0
CG D:GLU592 4.9 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 03:46:35 2024

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