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Zinc in PDB 5sk7: Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine, PDB code: 5sk7 was solved by C.Joseph, J.Benz, A.Flohr, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.43 / 2.29
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135, 135, 234.995, 90, 90, 120
R / Rfree (%) 18 / 23

Other elements in 5sk7:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine also contains other interesting chemical elements:

Bromine (Br) 6 atoms
Magnesium (Mg) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine (pdb code 5sk7). 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 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine, PDB code: 5sk7:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sk7

Go back to Zinc Binding Sites List in 5sk7
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine


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 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:42.2
occ:1.00
 OD2 A:ASP564 1.9 38.0 1.0
NE2 A:HIS529 2.1 36.4 1.0
NE2 A:HIS563 2.1 32.3 1.0
OD1 A:ASP674 2.1 44.1 1.0
O A:HOH957 2.2 36.4 1.0
O A:HOH945 2.3 29.9 1.0
CD2 A:HIS563 2.9 34.7 1.0
CG A:ASP674 3.0 41.9 1.0
CG A:ASP564 3.0 37.3 1.0
CD2 A:HIS529 3.1 35.4 1.0
CE1 A:HIS529 3.1 36.4 1.0
CE1 A:HIS563 3.2 37.8 1.0
OD2 A:ASP674 3.3 52.7 1.0
OD1 A:ASP564 3.6 37.5 1.0
MG A:MG802 3.8 37.0 1.0
O A:HOH960 4.0 30.4 1.0
O A:HOH933 4.1 43.3 1.0
CG A:HIS563 4.1 34.7 1.0
CD2 A:HIS525 4.2 44.2 1.0
CB A:ASP564 4.2 33.6 1.0
ND1 A:HIS563 4.2 35.5 1.0
ND1 A:HIS529 4.2 38.8 1.0
CG A:HIS529 4.2 33.6 1.0
CB A:ASP674 4.4 41.6 1.0
NE2 A:HIS525 4.5 41.3 1.0
O A:HOH937 4.7 34.2 1.0
CG2 A:VAL533 4.7 34.1 1.0
O A:ASP674 4.7 43.1 1.0
CA A:ASP674 4.9 38.4 1.0

Zinc binding site 2 out of 4 in 5sk7

Go back to Zinc Binding Sites List in 5sk7
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine


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 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:39.1
occ:1.00
 O B:HOH923 2.0 25.8 1.0
NE2 B:HIS563 2.1 32.0 1.0
OD2 B:ASP564 2.1 36.4 1.0
OD1 B:ASP674 2.1 38.3 1.0
NE2 B:HIS529 2.2 31.1 1.0
O B:HOH941 2.3 33.7 1.0
CD2 B:HIS563 3.0 33.6 1.0
CG B:ASP674 3.0 36.3 1.0
CG B:ASP564 3.1 33.5 1.0
CD2 B:HIS529 3.1 33.2 1.0
CE1 B:HIS563 3.1 33.9 1.0
CE1 B:HIS529 3.2 37.5 1.0
OD2 B:ASP674 3.3 46.6 1.0
OD1 B:ASP564 3.6 32.8 1.0
MG B:MG802 3.7 33.9 1.0
O B:HOH955 4.0 28.7 1.0
CG B:HIS563 4.2 32.1 1.0
O B:HOH937 4.2 43.4 1.0
ND1 B:HIS563 4.2 31.1 1.0
CD2 B:HIS525 4.2 33.5 1.0
CG B:HIS529 4.3 33.0 1.0
ND1 B:HIS529 4.3 34.4 1.0
CB B:ASP564 4.3 31.6 1.0
CB B:ASP674 4.4 36.4 1.0
NE2 B:HIS525 4.5 35.9 1.0
O B:HOH929 4.6 32.0 1.0
CG2 B:VAL533 4.8 34.5 1.0
CA B:ASP674 4.8 35.1 1.0
O B:ASP674 4.9 35.3 1.0

Zinc binding site 3 out of 4 in 5sk7

Go back to Zinc Binding Sites List in 5sk7
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine


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 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:42.3
occ:1.00
 O C:HOH931 2.0 34.2 1.0
NE2 C:HIS529 2.1 37.9 1.0
O C:HOH949 2.1 44.6 1.0
OD2 C:ASP564 2.2 35.4 1.0
OD1 C:ASP674 2.2 36.3 1.0
NE2 C:HIS563 2.2 38.9 1.0
CG C:ASP674 3.0 35.7 1.0
CD2 C:HIS563 3.0 35.9 1.0
CD2 C:HIS529 3.1 38.9 1.0
CE1 C:HIS529 3.1 39.8 1.0
CG C:ASP564 3.2 33.0 1.0
OD2 C:ASP674 3.2 40.1 1.0
CE1 C:HIS563 3.3 37.3 1.0
OD1 C:ASP564 3.6 34.9 1.0
MG C:MG802 3.9 37.7 1.0
CD2 C:HIS525 4.1 44.2 1.0
CG C:HIS563 4.2 36.5 1.0
ND1 C:HIS529 4.2 37.4 1.0
CG C:HIS529 4.2 37.0 1.0
O C:HOH974 4.3 33.1 1.0
ND1 C:HIS563 4.3 35.2 1.0
O C:HOH959 4.3 44.4 1.0
CB C:ASP564 4.3 32.5 1.0
CB C:ASP674 4.4 38.6 1.0
NE2 C:HIS525 4.4 42.7 1.0
O C:HOH936 4.6 36.8 1.0
CG2 C:VAL533 4.8 35.3 1.0
CA C:ASP674 4.8 38.0 1.0
O C:ASP674 4.8 41.9 1.0

Zinc binding site 4 out of 4 in 5sk7

Go back to Zinc Binding Sites List in 5sk7
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine


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 7- Bromo-N,N-Dimethyl-[1,2,4]Triazolo[1,5-A]Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:52.2
occ:1.00
 O D:HOH908 2.0 36.4 1.0
NE2 D:HIS563 2.1 40.6 1.0
OD1 D:ASP674 2.2 54.2 1.0
OD2 D:ASP564 2.2 54.2 1.0
O D:HOH915 2.3 42.1 1.0
NE2 D:HIS529 2.3 48.4 1.0
CD2 D:HIS563 2.9 44.2 1.0
CG D:ASP674 3.0 51.3 1.0
OD2 D:ASP674 3.1 55.0 1.0
CG D:ASP564 3.2 46.0 1.0
CD2 D:HIS529 3.2 52.2 1.0
CE1 D:HIS563 3.3 45.0 1.0
CE1 D:HIS529 3.4 50.8 1.0
OD1 D:ASP564 3.8 49.0 1.0
MG D:MG802 3.8 50.5 1.0
O D:HOH924 4.0 42.5 1.0
CG D:HIS563 4.1 44.3 1.0
CD2 D:HIS525 4.2 57.7 1.0
CB D:ASP564 4.3 45.1 1.0
ND1 D:HIS563 4.3 43.4 1.0
CB D:ASP674 4.4 53.1 1.0
CG D:HIS529 4.4 48.5 1.0
ND1 D:HIS529 4.5 48.2 1.0
NE2 D:HIS525 4.5 56.5 1.0
O D:HOH902 4.6 45.5 1.0
O D:ASP674 4.8 54.2 1.0
CG2 D:VAL533 4.8 49.3 1.0
CA D:ASP674 4.8 50.6 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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