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Zinc in PDB 5shi: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine, PDB code: 5shi was solved by C.Joseph, J.Benz, A.Flohr, K.Groebke-Zbinden, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.78 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.673, 135.673, 235.865, 90, 90, 120
R / Rfree (%) 17.4 / 22.3

Other elements in 5shi:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine 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 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine (pdb code 5shi). 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 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine, PDB code: 5shi:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5shi

Go back to Zinc Binding Sites List in 5shi
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine


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 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn802

b:38.3
occ:1.00
 O A:HOH971 2.1 32.1 1.0
OD2 A:ASP564 2.1 37.8 1.0
NE2 A:HIS529 2.2 35.4 1.0
O A:HOH993 2.2 39.3 1.0
OD1 A:ASP674 2.2 36.5 1.0
NE2 A:HIS563 2.2 29.3 1.0
CD2 A:HIS563 3.0 29.2 1.0
CG A:ASP564 3.1 31.9 1.0
CG A:ASP674 3.1 35.7 1.0
CE1 A:HIS529 3.1 31.3 1.0
CD2 A:HIS529 3.2 31.5 1.0
CE1 A:HIS563 3.3 34.3 1.0
OD2 A:ASP674 3.4 38.6 1.0
OD1 A:ASP564 3.5 29.6 1.0
MG A:MG803 3.8 30.8 1.0
O A:HOH1016 4.1 28.7 1.0
O A:HOH920 4.2 42.1 1.0
CD2 A:HIS525 4.2 35.9 1.0
CG A:HIS563 4.2 30.3 1.0
ND1 A:HIS529 4.3 31.0 1.0
CB A:ASP564 4.3 30.0 1.0
CG A:HIS529 4.3 32.9 1.0
ND1 A:HIS563 4.3 31.2 1.0
CB A:ASP674 4.4 33.4 1.0
NE2 A:HIS525 4.5 35.7 1.0
O A:HOH916 4.6 28.3 1.0
CG2 A:VAL533 4.8 28.5 1.0
O A:HOH1032 4.8 48.3 1.0
O A:ASP674 4.8 31.6 1.0
CA A:ASP674 4.9 33.3 1.0

Zinc binding site 2 out of 4 in 5shi

Go back to Zinc Binding Sites List in 5shi
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine


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 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn802

b:37.1
occ:1.00
 O B:HOH961 2.1 27.7 1.0
OD1 B:ASP674 2.2 30.8 1.0
NE2 B:HIS563 2.2 29.3 1.0
OD2 B:ASP564 2.2 32.2 1.0
NE2 B:HIS529 2.2 29.8 1.0
O B:HOH970 2.3 36.2 1.0
CG B:ASP674 3.1 32.7 1.0
CD2 B:HIS563 3.1 30.9 1.0
CD2 B:HIS529 3.1 31.4 1.0
CG B:ASP564 3.1 30.1 1.0
CE1 B:HIS563 3.2 30.2 1.0
CE1 B:HIS529 3.3 32.1 1.0
OD2 B:ASP674 3.3 34.7 1.0
OD1 B:ASP564 3.6 30.4 1.0
MG B:MG803 3.8 29.5 1.0
O B:HOH1005 4.0 29.8 1.0
O B:HOH949 4.0 39.2 1.0
CD2 B:HIS525 4.1 30.5 1.0
CG B:HIS563 4.2 30.2 1.0
ND1 B:HIS563 4.3 30.3 1.0
CG B:HIS529 4.3 31.1 1.0
O B:HOH1023 4.3 53.8 1.0
ND1 B:HIS529 4.3 30.6 1.0
CB B:ASP564 4.3 29.4 1.0
CB B:ASP674 4.4 32.0 1.0
NE2 B:HIS525 4.4 32.5 1.0
O B:HOH940 4.7 33.1 1.0
CG2 B:VAL533 4.8 28.0 1.0
O B:ASP674 4.9 32.8 1.0
CA B:ASP674 4.9 29.6 1.0

Zinc binding site 3 out of 4 in 5shi

Go back to Zinc Binding Sites List in 5shi
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine


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 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn802

b:37.4
occ:1.00
 O C:HOH942 2.0 28.2 1.0
OD2 C:ASP564 2.1 30.4 1.0
NE2 C:HIS529 2.2 34.5 1.0
OD1 C:ASP674 2.2 29.0 1.0
NE2 C:HIS563 2.2 34.3 1.0
O C:HOH978 2.3 38.9 1.0
CG C:ASP674 3.0 33.5 1.0
CD2 C:HIS563 3.1 31.0 1.0
CD2 C:HIS529 3.1 34.4 1.0
CG C:ASP564 3.1 30.2 1.0
CE1 C:HIS529 3.2 34.3 1.0
OD2 C:ASP674 3.3 39.2 1.0
CE1 C:HIS563 3.3 33.4 1.0
OD1 C:ASP564 3.7 31.3 1.0
MG C:MG803 3.7 31.7 1.0
CD2 C:HIS525 4.1 35.6 1.0
O C:HOH959 4.2 40.7 1.0
O C:HOH1020 4.2 30.3 1.0
CG C:HIS563 4.3 31.6 1.0
CG C:HIS529 4.3 31.7 1.0
ND1 C:HIS529 4.3 32.6 1.0
CB C:ASP564 4.3 29.6 1.0
ND1 C:HIS563 4.4 33.4 1.0
CB C:ASP674 4.4 34.5 1.0
NE2 C:HIS525 4.4 33.1 1.0
O C:HOH949 4.5 30.5 1.0
O C:HOH1040 4.7 47.7 1.0
CG2 C:VAL533 4.8 31.3 1.0
CA C:ASP674 4.8 35.8 1.0
O C:ASP674 4.9 36.0 1.0

Zinc binding site 4 out of 4 in 5shi

Go back to Zinc Binding Sites List in 5shi
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine


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 2,3,5- Trimethyl-6-[2-(1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Imidazo[1,2- A]Pyridine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn802

b:46.5
occ:1.00
 O D:HOH930 2.1 37.4 1.0
NE2 D:HIS563 2.2 35.8 1.0
OD2 D:ASP564 2.2 48.0 1.0
NE2 D:HIS529 2.3 40.9 1.0
OD1 D:ASP674 2.3 44.1 1.0
O D:HOH944 2.3 42.9 1.0
CD2 D:HIS563 3.0 38.0 1.0
CG D:ASP564 3.1 43.6 1.0
CG D:ASP674 3.1 46.8 1.0
CD2 D:HIS529 3.1 47.6 1.0
CE1 D:HIS563 3.3 39.5 1.0
CE1 D:HIS529 3.3 44.8 1.0
OD2 D:ASP674 3.4 46.9 1.0
OD1 D:ASP564 3.6 43.8 1.0
MG D:MG803 3.8 45.0 1.0
O D:HOH951 4.0 40.2 1.0
CD2 D:HIS525 4.1 44.8 1.0
O D:HOH936 4.1 56.8 1.0
CG D:HIS563 4.2 36.5 1.0
CB D:ASP564 4.3 40.7 1.0
ND1 D:HIS563 4.3 35.5 1.0
CG D:HIS529 4.3 43.9 1.0
ND1 D:HIS529 4.4 44.6 1.0
NE2 D:HIS525 4.4 49.3 1.0
CB D:ASP674 4.5 47.0 1.0
O D:HOH915 4.5 38.6 1.0
CG2 D:VAL533 4.8 42.8 1.0
O D:ASP674 4.9 47.4 1.0
CA D:ASP674 4.9 44.3 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 Oct 28 05:31:00 2024

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