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Zinc in PDB 5sk5: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3, PDB code: 5sk5 was solved by C.Joseph, J.Benz, A.Flohr, J.Peters, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.47 / 1.95
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.249, 135.249, 235.312, 90, 90, 120
R / Rfree (%) 18.9 / 22.2

Other elements in 5sk5:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3 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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3 (pdb code 5sk5). 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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3, PDB code: 5sk5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sk5

Go back to Zinc Binding Sites List in 5sk5
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3


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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:27.5
occ:1.00
 OD2 A:ASP564 2.1 21.9 1.0
O A:HOH956 2.1 20.4 1.0
NE2 A:HIS529 2.1 25.0 1.0
NE2 A:HIS563 2.2 23.4 1.0
OD1 A:ASP674 2.2 26.0 1.0
O A:HOH1011 2.4 29.6 1.0
CD2 A:HIS563 3.0 23.2 1.0
CG A:ASP564 3.1 22.7 1.0
CD2 A:HIS529 3.1 24.9 1.0
CG A:ASP674 3.1 26.5 1.0
CE1 A:HIS529 3.2 25.4 1.0
CE1 A:HIS563 3.3 24.4 1.0
OD2 A:ASP674 3.4 29.1 1.0
OD1 A:ASP564 3.5 21.8 1.0
MG A:MG802 3.8 22.1 1.0
O A:HOH1020 4.0 22.6 1.0
CG A:HIS563 4.2 23.6 1.0
CD2 A:HIS525 4.2 26.0 1.0
O A:HOH951 4.2 27.5 1.0
CG A:HIS529 4.2 24.2 1.0
ND1 A:HIS529 4.3 24.0 1.0
ND1 A:HIS563 4.3 23.2 1.0
CB A:ASP564 4.3 22.6 1.0
CB A:ASP674 4.5 25.1 1.0
NE2 A:HIS525 4.5 25.2 1.0
O A:HOH938 4.6 20.2 1.0
CG2 A:VAL533 4.8 20.6 1.0
CA A:ASP674 4.9 24.4 1.0
O A:ASP674 4.9 24.4 1.0

Zinc binding site 2 out of 4 in 5sk5

Go back to Zinc Binding Sites List in 5sk5
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3


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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:26.0
occ:1.00
 O B:HOH913 2.1 18.2 1.0
OD1 B:ASP674 2.1 21.3 1.0
NE2 B:HIS563 2.1 19.7 1.0
OD2 B:ASP564 2.2 21.6 1.0
NE2 B:HIS529 2.2 21.4 1.0
O B:HOH985 2.3 30.2 1.0
CG B:ASP674 3.0 22.4 1.0
CD2 B:HIS563 3.0 20.0 1.0
CD2 B:HIS529 3.1 22.9 1.0
CG B:ASP564 3.1 20.4 1.0
CE1 B:HIS563 3.1 21.6 1.0
CE1 B:HIS529 3.2 22.6 1.0
OD2 B:ASP674 3.2 23.3 1.0
OD1 B:ASP564 3.6 21.4 1.0
MG B:MG802 3.7 18.7 1.0
O B:HOH1001 4.0 20.0 1.0
CD2 B:HIS525 4.1 22.8 1.0
O B:HOH940 4.1 27.3 1.0
CG B:HIS563 4.2 20.8 1.0
ND1 B:HIS563 4.2 20.3 1.0
CG B:HIS529 4.3 22.3 1.0
ND1 B:HIS529 4.3 22.2 1.0
CB B:ASP564 4.3 20.1 1.0
NE2 B:HIS525 4.3 23.2 1.0
CB B:ASP674 4.3 21.7 1.0
O B:HOH970 4.6 19.7 1.0
O B:HOH1033 4.6 36.4 1.0
CG2 B:VAL533 4.7 21.0 1.0
CA B:ASP674 4.8 21.6 1.0
O B:ASP674 5.0 21.5 1.0

Zinc binding site 3 out of 4 in 5sk5

Go back to Zinc Binding Sites List in 5sk5
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3


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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3 within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:27.7
occ:1.00
 O C:HOH914 2.0 21.2 1.0
OD2 C:ASP564 2.1 22.2 1.0
NE2 C:HIS563 2.1 23.8 1.0
NE2 C:HIS529 2.2 21.9 1.0
OD1 C:ASP674 2.2 23.6 1.0
O C:HOH1025 2.3 31.4 1.0
CD2 C:HIS563 3.0 23.5 1.0
CG C:ASP674 3.0 25.5 1.0
CD2 C:HIS529 3.1 22.4 1.0
CG C:ASP564 3.1 21.5 1.0
CE1 C:HIS529 3.2 22.4 1.0
CE1 C:HIS563 3.2 23.2 1.0
OD2 C:ASP674 3.2 30.6 1.0
OD1 C:ASP564 3.6 22.0 1.0
MG C:MG802 3.8 24.0 1.0
CD2 C:HIS525 4.1 26.6 1.0
O C:HOH1027 4.1 20.6 1.0
CG C:HIS563 4.2 22.5 1.0
O C:HOH955 4.2 33.8 1.0
ND1 C:HIS563 4.3 23.5 1.0
CG C:HIS529 4.3 22.4 1.0
CB C:ASP564 4.3 20.5 1.0
ND1 C:HIS529 4.3 22.5 1.0
CB C:ASP674 4.4 25.3 1.0
NE2 C:HIS525 4.5 26.7 1.0
O C:HOH1033 4.6 37.9 1.0
O C:HOH945 4.6 24.7 1.0
CG2 C:VAL533 4.7 23.2 1.0
CA C:ASP674 4.8 24.6 1.0
O C:ASP674 4.9 24.9 1.0

Zinc binding site 4 out of 4 in 5sk5

Go back to Zinc Binding Sites List in 5sk5
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3


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 2- Methyl-4-(Morpholine-4-Carbonyl)-N-(2-Phenylimidazo[1,2-A]Pyridin-7- Yl)Pyrazole-3-Carboxamide, Space Group H3 within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:33.0
occ:1.00
 O D:HOH910 2.1 24.9 1.0
NE2 D:HIS529 2.1 31.4 1.0
OD2 D:ASP564 2.2 29.3 1.0
NE2 D:HIS563 2.2 24.5 1.0
OD1 D:ASP674 2.3 27.8 1.0
O D:HOH976 2.3 34.2 1.0
CD2 D:HIS563 3.0 26.3 1.0
CD2 D:HIS529 3.1 32.5 1.0
CG D:ASP674 3.1 30.2 1.0
CG D:ASP564 3.1 27.5 1.0
CE1 D:HIS529 3.2 32.4 1.0
OD2 D:ASP674 3.2 32.3 1.0
CE1 D:HIS563 3.3 25.8 1.0
OD1 D:ASP564 3.6 29.4 1.0
MG D:MG802 3.8 31.8 1.0
CD2 D:HIS525 4.1 33.1 1.0
O D:HOH978 4.1 30.3 1.0
CG D:HIS563 4.2 24.6 1.0
CG D:HIS529 4.2 31.7 1.0
O D:HOH913 4.2 30.1 1.0
ND1 D:HIS529 4.3 31.4 1.0
CB D:ASP564 4.3 28.8 1.0
ND1 D:HIS563 4.3 24.6 1.0
CB D:ASP674 4.5 29.7 1.0
NE2 D:HIS525 4.5 33.8 1.0
O D:HOH927 4.6 31.8 1.0
CG2 D:VAL533 4.7 31.7 1.0
O D:ASP674 4.9 30.8 1.0
CA D:ASP674 4.9 29.9 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 06:13:57 2024

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