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Zinc in PDB 5sg2: Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-2-Amine

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-2-Amine

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-2-Amine:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-2-Amine, PDB code: 5sg2 was solved by C.Joseph, J.Benz, A.Flohr, M.Brunner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 41.37 / 2.15
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 134.819, 134.819, 234.13, 90, 90, 120
R / Rfree (%) 18.5 / 24.3

Other elements in 5sg2:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-2-Amine 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 3- Methylimidazo[4,5-F]Quinolin-2-Amine (pdb code 5sg2). 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 3- Methylimidazo[4,5-F]Quinolin-2-Amine, PDB code: 5sg2:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sg2

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Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-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 3- Methylimidazo[4,5-F]Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:36.2
occ:1.00
 OD1 A:ASP674 2.1 36.4 1.0
O A:HOH959 2.1 24.0 1.0
NE2 A:HIS563 2.1 30.0 1.0
OD2 A:ASP564 2.1 34.4 1.0
O A:HOH963 2.2 32.8 1.0
NE2 A:HIS529 2.2 30.2 1.0
CD2 A:HIS563 2.9 29.1 1.0
CG A:ASP674 3.0 38.1 1.0
CD2 A:HIS529 3.1 30.3 1.0
CE1 A:HIS563 3.1 28.9 1.0
CG A:ASP564 3.1 32.9 1.0
CE1 A:HIS529 3.2 30.2 1.0
OD2 A:ASP674 3.4 44.7 1.0
OD1 A:ASP564 3.7 28.7 1.0
MG A:MG802 3.8 33.9 1.0
O A:HOH976 4.0 28.1 1.0
CG A:HIS563 4.1 31.4 1.0
ND1 A:HIS563 4.2 29.2 1.0
CD2 A:HIS525 4.2 36.3 1.0
O A:HOH967 4.2 35.0 1.0
CG A:HIS529 4.3 29.6 1.0
CB A:ASP564 4.3 32.5 1.0
ND1 A:HIS529 4.3 31.6 1.0
CB A:ASP674 4.4 38.2 1.0
NE2 A:HIS525 4.4 35.1 1.0
O A:HOH907 4.5 31.6 1.0
O A:HOH925 4.5 43.8 1.0
CG2 A:VAL533 4.7 31.0 1.0
CA A:ASP674 4.8 33.7 1.0
O A:ASP674 4.8 38.0 1.0

Zinc binding site 2 out of 4 in 5sg2

Go back to Zinc Binding Sites List in 5sg2
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-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 3- Methylimidazo[4,5-F]Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:36.2
occ:1.00
 OD1 B:ASP674 2.1 33.1 1.0
NE2 B:HIS529 2.1 27.4 1.0
O B:HOH948 2.1 30.5 1.0
NE2 B:HIS563 2.1 31.6 1.0
OD2 B:ASP564 2.2 31.1 1.0
O B:HOH955 2.6 42.8 1.0
CG B:ASP674 3.0 31.1 1.0
CD2 B:HIS529 3.1 28.4 1.0
CE1 B:HIS563 3.1 30.7 1.0
CE1 B:HIS529 3.1 28.7 1.0
CD2 B:HIS563 3.1 32.0 1.0
CG B:ASP564 3.1 29.6 1.0
OD2 B:ASP674 3.2 35.7 1.0
OD1 B:ASP564 3.6 30.4 1.0
MG B:MG802 3.8 26.2 1.0
O B:HOH978 4.0 30.9 1.0
O B:HOH970 4.1 45.1 1.0
CD2 B:HIS525 4.2 33.3 1.0
ND1 B:HIS563 4.2 29.8 1.0
ND1 B:HIS529 4.2 29.2 1.0
CG B:HIS529 4.2 27.2 1.0
CG B:HIS563 4.2 31.5 1.0
CB B:ASP564 4.3 30.3 1.0
CB B:ASP674 4.4 30.3 1.0
NE2 B:HIS525 4.6 33.9 1.0
O B:HOH933 4.6 25.1 1.0
CG2 B:VAL533 4.7 30.4 1.0
CA B:ASP674 4.8 30.1 1.0
O B:ASP674 4.8 29.2 1.0

Zinc binding site 3 out of 4 in 5sg2

Go back to Zinc Binding Sites List in 5sg2
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-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 3- Methylimidazo[4,5-F]Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:34.0
occ:1.00
 O C:HOH927 2.0 19.5 1.0
NE2 C:HIS529 2.1 32.0 1.0
OD2 C:ASP564 2.1 26.2 1.0
OD1 C:ASP674 2.2 31.4 1.0
NE2 C:HIS563 2.2 31.7 1.0
O C:HOH988 2.3 42.6 1.0
CG C:ASP674 3.0 31.7 1.0
CE1 C:HIS529 3.0 31.3 1.0
CD2 C:HIS563 3.1 31.0 1.0
CG C:ASP564 3.1 29.1 1.0
OD2 C:ASP674 3.2 32.7 1.0
CD2 C:HIS529 3.2 30.8 1.0
CE1 C:HIS563 3.3 31.3 1.0
OD1 C:ASP564 3.7 27.4 1.0
MG C:MG802 3.8 28.2 1.0
CD2 C:HIS525 4.1 33.8 1.0
ND1 C:HIS529 4.2 31.9 1.0
O C:HOH1010 4.2 36.8 1.0
O C:HOH1002 4.2 57.3 1.0
O C:HOH1003 4.2 26.3 1.0
CG C:HIS563 4.3 28.7 1.0
CG C:HIS529 4.3 30.2 1.0
CB C:ASP564 4.3 29.5 1.0
ND1 C:HIS563 4.3 30.2 1.0
CB C:ASP674 4.4 31.2 1.0
NE2 C:HIS525 4.5 33.3 1.0
O C:HOH935 4.5 29.9 1.0
O C:ASP674 4.7 32.6 1.0
CA C:ASP674 4.8 31.7 1.0
CG2 C:VAL533 4.9 29.2 1.0

Zinc binding site 4 out of 4 in 5sg2

Go back to Zinc Binding Sites List in 5sg2
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 3- Methylimidazo[4,5-F]Quinolin-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 3- Methylimidazo[4,5-F]Quinolin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:52.2
occ:1.00
 O D:HOH925 1.9 39.6 1.0
NE2 D:HIS563 2.1 36.2 1.0
OD1 D:ASP674 2.2 47.8 1.0
NE2 D:HIS529 2.3 47.3 1.0
OD2 D:ASP564 2.4 45.5 1.0
O D:HOH940 2.4 40.8 1.0
CD2 D:HIS563 2.9 40.0 1.0
CG D:ASP674 3.0 48.5 1.0
CD2 D:HIS529 3.2 47.5 1.0
CG D:ASP564 3.2 42.6 1.0
CE1 D:HIS563 3.3 39.5 1.0
OD2 D:ASP674 3.4 48.9 1.0
CE1 D:HIS529 3.4 45.4 1.0
OD1 D:ASP564 3.8 42.9 1.0
MG D:MG802 3.8 42.8 1.0
CG D:HIS563 4.2 38.1 1.0
O D:HOH943 4.2 37.2 1.0
CB D:ASP564 4.3 45.6 1.0
ND1 D:HIS563 4.3 36.9 1.0
CD2 D:HIS525 4.3 52.5 1.0
CG D:HIS529 4.4 46.5 1.0
CB D:ASP674 4.4 46.2 1.0
ND1 D:HIS529 4.4 48.2 1.0
O D:ASP674 4.7 42.2 1.0
NE2 D:HIS525 4.7 53.3 1.0
O D:HOH904 4.7 37.8 1.0
CG2 D:VAL533 4.8 46.1 1.0
CA D:ASP674 4.8 47.1 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 05:08:14 2024

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