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

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline, PDB code: 5sjv 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) 43.77 / 1.94
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 136.087, 136.087, 236.248, 90, 90, 120
R / Rfree (%) 17.3 / 21.6

Other elements in 5sjv:

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

Zinc binding site 1 out of 4 in 5sjv

Go back to Zinc Binding Sites List in 5sjv
Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:30.9
occ:1.00
 OD2 A:ASP564 2.1 26.3 1.0
O A:HOH978 2.1 24.8 1.0
OD1 A:ASP674 2.2 29.2 1.0
O A:HOH1013 2.2 34.1 1.0
NE2 A:HIS529 2.2 25.4 1.0
NE2 A:HIS563 2.2 24.7 1.0
CD2 A:HIS563 3.1 23.3 1.0
CD2 A:HIS529 3.1 25.3 1.0
CG A:ASP674 3.1 29.7 1.0
CG A:ASP564 3.1 25.2 1.0
CE1 A:HIS529 3.2 25.2 1.0
CE1 A:HIS563 3.3 27.5 1.0
OD2 A:ASP674 3.4 32.6 1.0
OD1 A:ASP564 3.6 23.0 1.0
MG A:MG802 3.7 25.6 1.0
O A:HOH1035 4.0 25.9 1.0
CD2 A:HIS525 4.1 29.2 1.0
O A:HOH969 4.2 39.2 1.0
CG A:HIS563 4.3 24.6 1.0
CG A:HIS529 4.3 26.7 1.0
ND1 A:HIS529 4.3 25.4 1.0
ND1 A:HIS563 4.3 26.8 1.0
CB A:ASP564 4.3 27.0 1.0
CB A:ASP674 4.5 26.7 1.0
NE2 A:HIS525 4.5 28.9 1.0
O A:HOH938 4.6 24.1 1.0
O A:HOH1052 4.6 44.8 1.0
CG2 A:VAL533 4.8 23.3 1.0
CA A:ASP674 4.9 26.4 1.0
O A:ASP674 4.9 27.0 1.0

Zinc binding site 2 out of 4 in 5sjv

Go back to Zinc Binding Sites List in 5sjv
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:28.4
occ:1.00
 O B:HOH962 2.1 18.8 1.0
O B:HOH990 2.1 34.2 1.0
OD1 B:ASP674 2.1 21.3 1.0
OD2 B:ASP564 2.2 22.7 1.0
NE2 B:HIS563 2.2 21.4 1.0
NE2 B:HIS529 2.2 22.9 1.0
CG B:ASP674 3.0 26.3 1.0
CD2 B:HIS563 3.1 22.0 1.0
CG B:ASP564 3.1 22.6 1.0
CD2 B:HIS529 3.2 24.2 1.0
CE1 B:HIS529 3.2 25.1 1.0
CE1 B:HIS563 3.2 23.1 1.0
OD2 B:ASP674 3.3 26.1 1.0
OD1 B:ASP564 3.6 24.2 1.0
MG B:MG802 3.7 21.4 1.0
O B:HOH1017 3.9 38.3 1.0
O B:HOH1025 3.9 23.5 1.0
CD2 B:HIS525 4.0 24.2 1.0
CG B:HIS563 4.2 22.3 1.0
ND1 B:HIS563 4.3 21.4 1.0
ND1 B:HIS529 4.3 21.1 1.0
CG B:HIS529 4.3 23.0 1.0
CB B:ASP564 4.3 20.7 1.0
NE2 B:HIS525 4.4 28.6 1.0
CB B:ASP674 4.4 24.6 1.0
O B:HOH1072 4.5 37.7 1.0
O B:HOH964 4.6 22.4 1.0
CG2 B:VAL533 4.8 21.2 1.0
CA B:ASP674 4.8 22.3 1.0
O B:ASP674 5.0 23.6 1.0

Zinc binding site 3 out of 4 in 5sjv

Go back to Zinc Binding Sites List in 5sjv
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:30.5
occ:1.00
 O C:HOH965 2.0 21.5 1.0
OD2 C:ASP564 2.2 23.0 1.0
NE2 C:HIS563 2.2 24.6 1.0
OD1 C:ASP674 2.2 26.4 1.0
NE2 C:HIS529 2.3 24.3 1.0
O C:HOH1000 2.3 35.7 1.0
CD2 C:HIS563 3.1 24.4 1.0
CG C:ASP674 3.1 26.1 1.0
CG C:ASP564 3.1 24.4 1.0
CD2 C:HIS529 3.2 23.8 1.0
CE1 C:HIS563 3.3 23.7 1.0
CE1 C:HIS529 3.3 23.0 1.0
OD2 C:ASP674 3.3 32.1 1.0
OD1 C:ASP564 3.6 22.4 1.0
MG C:MG802 3.8 25.9 1.0
O C:HOH1045 4.0 25.0 1.0
O C:HOH1044 4.0 41.9 1.0
CD2 C:HIS525 4.1 28.2 1.0
CG C:HIS563 4.2 23.2 1.0
ND1 C:HIS563 4.3 25.1 1.0
CB C:ASP564 4.3 22.9 1.0
CG C:HIS529 4.4 23.7 1.0
ND1 C:HIS529 4.4 22.0 1.0
O C:HOH1053 4.4 39.9 1.0
CB C:ASP674 4.4 25.0 1.0
NE2 C:HIS525 4.5 29.0 1.0
O C:HOH944 4.5 24.0 1.0
CA C:ASP674 4.8 26.5 1.0
CG2 C:VAL533 4.8 26.8 1.0
O C:ASP674 4.9 26.7 1.0

Zinc binding site 4 out of 4 in 5sjv

Go back to Zinc Binding Sites List in 5sjv
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]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 5-[2- (1-Methyl-4-Phenylimidazol-2-Yl)Ethyl]Quinoxaline within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:33.4
occ:1.00
 O D:HOH956 2.0 25.1 1.0
NE2 D:HIS563 2.2 25.9 1.0
O D:HOH968 2.2 36.0 1.0
OD2 D:ASP564 2.2 27.7 1.0
NE2 D:HIS529 2.2 32.6 1.0
OD1 D:ASP674 2.3 27.4 1.0
CD2 D:HIS563 3.0 29.1 1.0
CG D:ASP674 3.1 30.7 1.0
CG D:ASP564 3.1 29.1 1.0
CD2 D:HIS529 3.2 34.2 1.0
CE1 D:HIS529 3.3 31.4 1.0
CE1 D:HIS563 3.3 26.2 1.0
OD2 D:ASP674 3.3 34.6 1.0
OD1 D:ASP564 3.6 30.8 1.0
MG D:MG802 3.8 34.1 1.0
O D:HOH952 4.1 44.4 1.0
O D:HOH983 4.1 30.3 1.0
CD2 D:HIS525 4.1 32.7 1.0
CG D:HIS563 4.2 25.8 1.0
ND1 D:HIS563 4.3 25.7 1.0
CG D:HIS529 4.3 30.3 1.0
ND1 D:HIS529 4.4 30.7 1.0
CB D:ASP564 4.4 27.4 1.0
NE2 D:HIS525 4.4 36.0 1.0
CB D:ASP674 4.5 29.4 1.0
O D:HOH912 4.6 28.5 1.0
CG2 D:VAL533 4.8 32.0 1.0
O D:ASP674 4.9 29.2 1.0
CA D:ASP674 4.9 27.7 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 06:06:32 2024

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