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Zinc in PDB 5sk9: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline, PDB code: 5sk9 was solved by C.Joseph, J.Benz, A.Flohr, M.Boehringer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.64 / 2.82
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.698, 135.698, 234.384, 90, 90, 120
R / Rfree (%) 21.2 / 23.9

Other elements in 5sk9:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline also contains other interesting chemical elements:

Chlorine (Cl) 4 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 2- Chloro-5-Methoxy-3-Methylquinoxaline (pdb code 5sk9). 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- Chloro-5-Methoxy-3-Methylquinoxaline, PDB code: 5sk9:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sk9

Go back to Zinc Binding Sites List in 5sk9
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:73.0
occ:1.00
 NE2 A:HIS529 2.0 62.5 1.0
NE2 A:HIS563 2.0 55.2 1.0
OD1 A:ASP674 2.2 70.8 1.0
OD2 A:ASP564 2.2 62.6 1.0
O A:HOH907 2.3 71.3 1.0
O A:HOH909 2.9 76.9 1.0
CE1 A:HIS529 2.9 62.4 1.0
CE1 A:HIS563 3.0 55.2 1.0
CD2 A:HIS563 3.0 54.6 1.0
CD2 A:HIS529 3.0 61.3 1.0
CG A:ASP674 3.1 68.7 1.0
CG A:ASP564 3.1 59.4 1.0
OD2 A:ASP674 3.5 71.2 1.0
OD1 A:ASP564 3.5 57.8 1.0
CD2 A:HIS525 3.9 56.4 1.0
ND1 A:HIS563 4.1 55.0 1.0
CG A:HIS563 4.1 54.2 1.0
NE2 A:HIS525 4.1 56.8 1.0
ND1 A:HIS529 4.1 61.4 1.0
CG A:HIS529 4.1 59.2 1.0
CB A:ASP564 4.3 56.5 1.0
CB A:ASP674 4.4 62.7 1.0
O A:HOH902 4.4 31.1 1.0
CG2 A:VAL533 4.6 54.2 1.0
O A:HOH911 4.6 69.3 1.0
MG A:MG802 4.7 71.8 1.0
CA A:ASP674 4.8 60.8 1.0
O A:ASP674 4.9 61.1 1.0

Zinc binding site 2 out of 4 in 5sk9

Go back to Zinc Binding Sites List in 5sk9
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:62.8
occ:1.00
 OD1 B:ASP674 2.1 71.3 1.0
NE2 B:HIS529 2.2 54.2 1.0
O B:HOH916 2.3 62.9 1.0
OD2 B:ASP564 2.3 59.0 1.0
NE2 B:HIS563 2.3 62.7 1.0
CD2 B:HIS563 2.9 61.3 1.0
CD2 B:HIS529 3.0 54.1 1.0
CG B:ASP674 3.1 70.1 1.0
CG B:ASP564 3.2 58.2 1.0
CE1 B:HIS529 3.2 54.6 1.0
OD2 B:ASP674 3.5 73.2 1.0
CE1 B:HIS563 3.6 62.6 1.0
OD1 B:ASP564 3.6 58.2 1.0
MG B:MG802 3.7 48.5 1.0
CD2 B:HIS525 4.1 56.6 1.0
CG B:HIS563 4.2 60.0 1.0
NE2 B:HIS525 4.2 57.0 1.0
CG B:HIS529 4.2 54.0 1.0
ND1 B:HIS529 4.3 54.6 1.0
CB B:ASP564 4.4 56.7 1.0
CB B:ASP674 4.4 64.0 1.0
ND1 B:HIS563 4.5 62.1 1.0
O B:HOH910 4.6 50.6 1.0
CA B:ASP674 4.8 61.5 1.0
CG2 B:VAL533 4.8 54.6 1.0
O B:HOH913 4.8 66.0 1.0

Zinc binding site 3 out of 4 in 5sk9

Go back to Zinc Binding Sites List in 5sk9
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:64.1
occ:1.00
 NE2 C:HIS529 2.0 61.4 1.0
O C:HOH924 2.0 47.0 1.0
OD1 C:ASP674 2.2 56.9 1.0
NE2 C:HIS563 2.3 61.2 1.0
OD2 C:ASP564 2.3 66.0 1.0
O C:HOH916 2.8 79.8 1.0
CE1 C:HIS529 2.9 61.1 1.0
CD2 C:HIS529 3.1 60.1 1.0
CD2 C:HIS563 3.1 59.9 1.0
CG C:ASP674 3.2 57.6 1.0
CG C:ASP564 3.2 63.0 1.0
CE1 C:HIS563 3.4 61.5 1.0
OD2 C:ASP674 3.5 60.1 1.0
OD1 C:ASP564 3.7 63.6 1.0
O C:HOH913 3.8 96.9 1.0
CD2 C:HIS525 3.9 57.1 1.0
MG C:MG802 3.9 50.3 1.0
NE2 C:HIS525 4.1 58.3 1.0
ND1 C:HIS529 4.1 60.2 1.0
CG C:HIS529 4.2 58.4 1.0
CG C:HIS563 4.3 58.7 1.0
CB C:ASP564 4.4 58.5 1.0
O C:HOH909 4.4 43.8 1.0
ND1 C:HIS563 4.4 60.5 1.0
CB C:ASP674 4.5 57.7 1.0
O C:HOH903 4.8 51.5 1.0
CG2 C:VAL533 4.8 54.2 1.0
O C:ASP674 4.9 60.5 1.0
CA C:ASP674 4.9 58.9 1.0

Zinc binding site 4 out of 4 in 5sk9

Go back to Zinc Binding Sites List in 5sk9
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-5-Methoxy-3-Methylquinoxaline


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- Chloro-5-Methoxy-3-Methylquinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:90.0
occ:1.00
 OD2 D:ASP564 2.0 98.2 1.0
OD1 D:ASP674 2.1 101.1 1.0
NE2 D:HIS563 2.2 87.9 1.0
NE2 D:HIS529 2.4 96.1 1.0
O D:HOH905 2.7 98.5 1.0
CD2 D:HIS563 2.9 87.0 1.0
CG D:ASP564 3.2 95.2 1.0
CG D:ASP674 3.2 100.0 1.0
CE1 D:HIS563 3.3 87.7 1.0
CD2 D:HIS529 3.3 95.1 1.0
CE1 D:HIS529 3.4 96.3 1.0
O D:HOH904 3.6 74.0 1.0
OD1 D:ASP564 3.7 95.3 1.0
OD2 D:ASP674 3.8 102.5 1.0
O D:HOH901 3.8 63.5 1.0
CD2 D:HIS525 4.0 86.9 1.0
NE2 D:HIS525 4.0 87.8 1.0
CG D:HIS563 4.1 86.1 1.0
ND1 D:HIS563 4.3 87.1 1.0
MG D:MG802 4.3 95.2 1.0
CB D:ASP674 4.4 93.6 1.0
CB D:ASP564 4.4 89.8 1.0
CG D:HIS529 4.5 93.7 1.0
ND1 D:HIS529 4.5 95.7 1.0
O D:ASP674 4.5 90.8 1.0
CA D:ASP674 4.7 90.8 1.0
CG2 D:VAL533 4.8 93.6 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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