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Zinc in PDB 5sgr: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline, PDB code: 5sgr 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) 43.68 / 2.04
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.568, 135.568, 235.307, 90, 90, 120
R / Rfree (%) 17.7 / 22.1

Other elements in 5sgr:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline also contains other interesting chemical elements:

Magnesium (Mg) 4 atoms
Chlorine (Cl) 4 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline (pdb code 5sgr). 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-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline, PDB code: 5sgr:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sgr

Go back to Zinc Binding Sites List in 5sgr
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline


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-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:33.0
occ:1.00
 OD2 A:ASP564 2.1 28.4 1.0
O A:HOH979 2.1 24.3 1.0
OD1 A:ASP674 2.2 31.3 1.0
NE2 A:HIS529 2.2 31.6 1.0
O A:HOH986 2.2 32.2 1.0
NE2 A:HIS563 2.2 26.7 1.0
CD2 A:HIS563 3.0 25.2 1.0
CG A:ASP674 3.1 31.2 1.0
CG A:ASP564 3.1 27.8 1.0
CD2 A:HIS529 3.1 29.4 1.0
CE1 A:HIS529 3.2 30.4 1.0
CE1 A:HIS563 3.3 29.2 1.0
OD2 A:ASP674 3.4 32.3 1.0
OD1 A:ASP564 3.5 23.3 1.0
MG A:MG802 3.7 26.9 1.0
O A:HOH1018 4.0 24.6 1.0
CD2 A:HIS525 4.2 30.3 1.0
CG A:HIS563 4.2 24.9 1.0
CG A:HIS529 4.3 31.1 1.0
O A:HOH973 4.3 32.8 1.0
ND1 A:HIS529 4.3 30.1 1.0
ND1 A:HIS563 4.3 27.1 1.0
CB A:ASP564 4.3 26.4 1.0
CB A:ASP674 4.4 27.3 1.0
NE2 A:HIS525 4.5 30.3 1.0
O A:HOH928 4.5 25.4 1.0
O A:ASP674 4.8 26.1 1.0
CG2 A:VAL533 4.8 22.9 1.0
CA A:ASP674 4.9 25.7 1.0

Zinc binding site 2 out of 4 in 5sgr

Go back to Zinc Binding Sites List in 5sgr
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline


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-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:30.9
occ:1.00
 O B:HOH993 2.1 19.6 1.0
OD1 B:ASP674 2.1 26.2 1.0
OD2 B:ASP564 2.2 23.0 1.0
NE2 B:HIS563 2.2 24.9 1.0
O B:HOH991 2.2 32.0 1.0
NE2 B:HIS529 2.2 23.8 1.0
CG B:ASP674 3.0 28.2 1.0
CD2 B:HIS563 3.0 24.9 1.0
CG B:ASP564 3.1 26.4 1.0
CD2 B:HIS529 3.1 26.0 1.0
CE1 B:HIS529 3.2 27.5 1.0
CE1 B:HIS563 3.2 25.3 1.0
OD2 B:ASP674 3.3 28.6 1.0
OD1 B:ASP564 3.5 26.2 1.0
MG B:MG802 3.7 25.1 1.0
O B:HOH1005 3.9 23.6 1.0
CD2 B:HIS525 4.1 26.8 1.0
O B:HOH1022 4.1 53.7 1.0
O B:HOH979 4.1 34.1 1.0
CG B:HIS563 4.2 25.8 1.0
ND1 B:HIS563 4.3 25.0 1.0
CG B:HIS529 4.3 26.5 1.0
ND1 B:HIS529 4.3 23.7 1.0
CB B:ASP564 4.3 23.5 1.0
CB B:ASP674 4.4 27.1 1.0
NE2 B:HIS525 4.4 29.0 1.0
O B:HOH950 4.6 25.8 1.0
CG2 B:VAL533 4.8 25.1 1.0
CA B:ASP674 4.8 25.3 1.0
O B:ASP674 4.9 24.5 1.0

Zinc binding site 3 out of 4 in 5sgr

Go back to Zinc Binding Sites List in 5sgr
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline


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-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:33.1
occ:1.00
 O C:HOH966 2.0 25.1 1.0
NE2 C:HIS529 2.2 26.6 1.0
OD2 C:ASP564 2.2 29.0 1.0
OD1 C:ASP674 2.2 25.5 1.0
O C:HOH1005 2.3 35.1 1.0
NE2 C:HIS563 2.3 26.7 1.0
CG C:ASP674 3.0 27.5 1.0
CD2 C:HIS563 3.1 25.7 1.0
CD2 C:HIS529 3.1 27.2 1.0
CG C:ASP564 3.2 27.1 1.0
CE1 C:HIS529 3.2 30.2 1.0
OD2 C:ASP674 3.2 31.1 1.0
CE1 C:HIS563 3.4 25.9 1.0
OD1 C:ASP564 3.6 24.7 1.0
MG C:MG802 3.7 26.6 1.0
O C:HOH1025 4.0 25.6 1.0
CD2 C:HIS525 4.1 29.8 1.0
O C:HOH1027 4.2 48.5 1.0
CG C:HIS563 4.3 26.8 1.0
O C:HOH991 4.3 40.3 1.0
CG C:HIS529 4.3 27.3 1.0
ND1 C:HIS529 4.3 25.2 1.0
CB C:ASP564 4.4 25.1 1.0
ND1 C:HIS563 4.4 25.1 1.0
CB C:ASP674 4.4 26.6 1.0
NE2 C:HIS525 4.5 29.8 1.0
O C:HOH933 4.6 27.1 1.0
CG2 C:VAL533 4.8 26.8 1.0
CA C:ASP674 4.8 28.8 1.0
O C:ASP674 4.9 25.8 1.0

Zinc binding site 4 out of 4 in 5sgr

Go back to Zinc Binding Sites List in 5sgr
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Chloro-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline


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-3-[(1-Methyl-4-Phenylimidazol-2-Yl)Methoxy]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:37.6
occ:1.00
 O D:HOH963 2.1 25.8 1.0
NE2 D:HIS529 2.2 38.5 1.0
NE2 D:HIS563 2.2 30.0 1.0
OD1 D:ASP674 2.3 33.4 1.0
OD2 D:ASP564 2.3 35.8 1.0
O D:HOH955 2.3 38.1 1.0
CD2 D:HIS563 3.0 29.8 1.0
CG D:ASP674 3.1 34.1 1.0
CG D:ASP564 3.1 31.8 1.0
CD2 D:HIS529 3.1 41.4 1.0
CE1 D:HIS529 3.3 36.1 1.0
OD2 D:ASP674 3.3 35.5 1.0
CE1 D:HIS563 3.4 32.0 1.0
OD1 D:ASP564 3.6 37.0 1.0
MG D:MG802 3.7 34.7 1.0
O D:HOH945 4.1 32.2 1.0
CD2 D:HIS525 4.1 36.6 1.0
O D:HOH933 4.1 40.3 1.0
CG D:HIS563 4.2 29.4 1.0
CB D:ASP564 4.2 30.0 1.0
CG D:HIS529 4.3 35.7 1.0
ND1 D:HIS529 4.3 35.7 1.0
ND1 D:HIS563 4.4 29.7 1.0
O D:HOH927 4.5 27.3 1.0
CB D:ASP674 4.5 31.1 1.0
NE2 D:HIS525 4.5 40.6 1.0
O D:ASP674 4.8 34.4 1.0
CG2 D:VAL533 4.8 38.2 1.0
CA D:ASP674 4.9 31.4 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 05:16:30 2024

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