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Zinc 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:

Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 4 binding sites of Zinc 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 Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sge

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Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:36.5
occ:1.00
 OD2 A:ASP564 2.0 35.5 1.0
NE2 A:HIS563 2.0 31.2 1.0
O A:HOH930 2.1 28.9 1.0
OD1 A:ASP674 2.1 37.6 1.0
NE2 A:HIS529 2.2 32.4 1.0
O A:HOH966 2.3 35.9 1.0
CD2 A:HIS563 2.9 32.1 1.0
CG A:ASP674 3.0 35.5 1.0
CE1 A:HIS563 3.0 33.0 1.0
CG A:ASP564 3.1 31.6 1.0
CD2 A:HIS529 3.1 30.9 1.0
CE1 A:HIS529 3.2 31.1 1.0
OD2 A:ASP674 3.3 39.6 1.0
OD1 A:ASP564 3.6 29.2 1.0
MG A:MG802 3.8 32.5 1.0
CG A:HIS563 4.1 29.4 1.0
ND1 A:HIS563 4.1 29.6 1.0
O A:HOH979 4.1 29.5 1.0
CD2 A:HIS525 4.1 36.5 1.0
O A:HOH972 4.2 45.9 1.0
CB A:ASP564 4.2 31.1 1.0
CG A:HIS529 4.3 31.6 1.0
ND1 A:HIS529 4.3 31.2 1.0
CB A:ASP674 4.4 33.0 1.0
NE2 A:HIS525 4.5 36.5 1.0
O A:HOH908 4.6 31.4 1.0
O A:HOH983 4.6 53.6 1.0
CG2 A:VAL533 4.7 31.5 1.0
O A:ASP674 4.8 34.0 1.0
CA A:ASP674 4.8 30.6 1.0

Zinc binding site 2 out of 4 in 5sge

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Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:36.9
occ:1.00
 OD2 B:ASP564 2.0 32.9 1.0
NE2 B:HIS563 2.1 28.1 1.0
NE2 B:HIS529 2.2 28.0 1.0
O B:HOH951 2.2 28.2 1.0
OD1 B:ASP674 2.2 33.8 1.0
O B:HOH931 2.3 37.6 1.0
CD2 B:HIS563 3.0 30.1 1.0
CD2 B:HIS529 3.1 30.7 1.0
CG B:ASP564 3.1 30.8 1.0
CG B:ASP674 3.1 33.2 1.0
CE1 B:HIS563 3.2 28.9 1.0
CE1 B:HIS529 3.2 29.5 1.0
OD2 B:ASP674 3.3 38.1 1.0
OD1 B:ASP564 3.6 30.5 1.0
MG B:MG802 3.8 33.5 1.0
O B:HOH976 4.0 32.0 1.0
CD2 B:HIS525 4.1 37.1 1.0
O B:HOH963 4.1 41.1 1.0
CG B:HIS563 4.2 31.1 1.0
ND1 B:HIS563 4.2 29.4 1.0
CB B:ASP564 4.2 32.3 1.0
CG B:HIS529 4.2 29.1 1.0
O B:HOH985 4.3 50.7 1.0
ND1 B:HIS529 4.3 28.1 1.0
NE2 B:HIS525 4.4 38.5 1.0
CB B:ASP674 4.5 30.9 1.0
O B:HOH928 4.5 30.9 1.0
CG2 B:VAL533 4.8 30.1 1.0
O B:ASP674 4.9 30.9 1.0
CA B:ASP674 4.9 29.4 1.0

Zinc binding site 3 out of 4 in 5sge

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Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:37.0
occ:1.00
 O C:HOH946 2.0 27.9 1.0
NE2 C:HIS563 2.0 35.2 1.0
OD1 C:ASP674 2.1 35.7 1.0
OD2 C:ASP564 2.1 31.9 1.0
NE2 C:HIS529 2.2 32.3 1.0
O C:HOH988 2.3 38.4 1.0
CG C:ASP674 3.0 34.7 1.0
CD2 C:HIS563 3.0 32.4 1.0
CE1 C:HIS563 3.1 33.4 1.0
CD2 C:HIS529 3.1 32.2 1.0
CG C:ASP564 3.1 33.3 1.0
CE1 C:HIS529 3.2 33.8 1.0
OD2 C:ASP674 3.2 34.4 1.0
OD1 C:ASP564 3.6 32.6 1.0
MG C:MG802 3.8 31.8 1.0
CG C:HIS563 4.2 33.3 1.0
ND1 C:HIS563 4.2 30.8 1.0
CD2 C:HIS525 4.2 39.1 1.0
O C:HOH1004 4.2 30.7 1.0
ND1 C:HIS529 4.3 33.3 1.0
O C:HOH986 4.3 42.5 1.0
CG C:HIS529 4.3 33.1 1.0
CB C:ASP564 4.3 33.4 1.0
CB C:ASP674 4.4 37.1 1.0
O C:HOH906 4.4 31.5 1.0
NE2 C:HIS525 4.5 41.5 1.0
O C:HOH1009 4.7 52.1 1.0
CA C:ASP674 4.8 35.8 1.0
CG2 C:VAL533 4.8 33.1 1.0
O C:ASP674 4.8 37.0 1.0

Zinc binding site 4 out of 4 in 5sge

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Zinc 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 Zinc with other atoms in the Zn 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:Zn801

b:48.4
occ:1.00
 O D:HOH926 2.0 32.8 1.0
NE2 D:HIS563 2.1 38.8 1.0
OD2 D:ASP564 2.2 47.3 1.0
OD1 D:ASP674 2.2 45.8 1.0
O D:HOH946 2.3 44.1 1.0
NE2 D:HIS529 2.4 47.1 1.0
CD2 D:HIS563 2.9 41.5 1.0
CG D:ASP564 3.1 41.7 1.0
CG D:ASP674 3.1 46.0 1.0
CE1 D:HIS563 3.2 42.5 1.0
CD2 D:HIS529 3.3 46.4 1.0
OD2 D:ASP674 3.4 44.5 1.0
CE1 D:HIS529 3.5 46.5 1.0
OD1 D:ASP564 3.5 44.5 1.0
MG D:MG802 3.8 47.6 1.0
O D:HOH944 4.1 39.2 1.0
CG D:HIS563 4.1 41.2 1.0
O D:HOH923 4.2 55.5 1.0
ND1 D:HIS563 4.2 38.0 1.0
CB D:ASP564 4.3 43.8 1.0
CD2 D:HIS525 4.4 55.5 1.0
CB D:ASP674 4.5 49.8 1.0
O D:HOH904 4.5 43.9 1.0
CG D:HIS529 4.5 45.3 1.0
ND1 D:HIS529 4.5 49.5 1.0
O D:ASP674 4.7 46.5 1.0
CG2 D:VAL533 4.8 46.0 1.0
NE2 D:HIS525 4.8 53.5 1.0
CA D:ASP674 4.9 47.0 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 Oct 28 05:11:59 2024

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