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Zinc in PDB 5sh5: Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile, PDB code: 5sh5 was solved by C.Joseph, J.Benz, A.Flohr, C.Riemer, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.44 / 2.30
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.028, 135.028, 234.735, 90, 90, 120
R / Rfree (%) 18 / 23.2

Other elements in 5sh5:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile 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 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile (pdb code 5sh5). 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- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile, PDB code: 5sh5:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in 5sh5

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Zinc binding site 1 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile


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- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Zn801

b:41.7
occ:1.00
 NE2 A:HIS529 2.1 40.1 1.0
OD2 A:ASP564 2.1 35.3 1.0
NE2 A:HIS563 2.1 34.4 1.0
O A:HOH926 2.2 33.0 1.0
O A:HOH952 2.2 37.5 1.0
OD1 A:ASP674 2.3 40.8 1.0
CD2 A:HIS563 3.0 31.9 1.0
CD2 A:HIS529 3.0 41.6 1.0
CG A:ASP564 3.1 36.4 1.0
CE1 A:HIS529 3.1 38.3 1.0
CG A:ASP674 3.1 43.1 1.0
CE1 A:HIS563 3.2 35.3 1.0
OD2 A:ASP674 3.3 47.2 1.0
OD1 A:ASP564 3.6 34.0 1.0
MG A:MG802 3.8 36.6 1.0
O A:HOH956 4.1 34.0 1.0
CG A:HIS563 4.1 31.8 1.0
ND1 A:HIS529 4.2 37.5 1.0
CG A:HIS529 4.2 35.9 1.0
CB A:ASP564 4.2 35.8 1.0
ND1 A:HIS563 4.2 30.8 1.0
CD2 A:HIS525 4.2 38.7 1.0
O A:HOH938 4.2 40.2 1.0
CB A:ASP674 4.5 41.6 1.0
NE2 A:HIS525 4.5 37.2 1.0
O A:HOH909 4.6 32.7 1.0
CG2 A:VAL533 4.7 29.7 1.0
O A:ASP674 4.8 40.3 1.0
CA A:ASP674 4.9 38.5 1.0

Zinc binding site 2 out of 4 in 5sh5

Go back to Zinc Binding Sites List in 5sh5
Zinc binding site 2 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile


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- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Zn801

b:39.9
occ:1.00
 OD2 B:ASP564 2.0 34.0 1.0
NE2 B:HIS563 2.1 29.9 1.0
O B:HOH919 2.1 29.9 1.0
NE2 B:HIS529 2.2 33.5 1.0
OD1 B:ASP674 2.2 38.3 1.0
O B:HOH939 2.4 36.4 1.0
CD2 B:HIS563 3.0 31.8 1.0
CG B:ASP564 3.0 30.2 1.0
CG B:ASP674 3.1 39.2 1.0
CD2 B:HIS529 3.1 34.9 1.0
CE1 B:HIS563 3.1 32.1 1.0
CE1 B:HIS529 3.2 38.0 1.0
OD2 B:ASP674 3.3 46.0 1.0
OD1 B:ASP564 3.5 29.4 1.0
MG B:MG802 3.9 33.3 1.0
O B:HOH951 4.0 29.0 1.0
O B:HOH935 4.1 41.4 1.0
CG B:HIS563 4.2 30.6 1.0
ND1 B:HIS563 4.2 29.4 1.0
CD2 B:HIS525 4.2 40.6 1.0
CB B:ASP564 4.3 30.3 1.0
CG B:HIS529 4.3 35.1 1.0
ND1 B:HIS529 4.3 35.9 1.0
NE2 B:HIS525 4.5 38.4 1.0
CB B:ASP674 4.5 39.8 1.0
O B:HOH928 4.6 36.3 1.0
CG2 B:VAL533 4.7 36.1 1.0
CA B:ASP674 4.9 38.4 1.0
O B:ASP674 4.9 38.9 1.0

Zinc binding site 3 out of 4 in 5sh5

Go back to Zinc Binding Sites List in 5sh5
Zinc binding site 3 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile


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- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Zn801

b:44.1
occ:1.00
 O C:HOH929 2.0 33.9 1.0
NE2 C:HIS563 2.1 36.4 1.0
NE2 C:HIS529 2.1 38.9 1.0
OD1 C:ASP674 2.2 40.8 1.0
O C:HOH955 2.2 37.4 1.0
OD2 C:ASP564 2.2 39.0 1.0
CD2 C:HIS563 3.0 35.8 1.0
CG C:ASP674 3.0 36.7 1.0
CE1 C:HIS529 3.1 44.6 1.0
CD2 C:HIS529 3.1 39.8 1.0
CG C:ASP564 3.1 37.5 1.0
CE1 C:HIS563 3.1 36.2 1.0
OD2 C:ASP674 3.3 40.7 1.0
OD1 C:ASP564 3.6 40.6 1.0
MG C:MG802 3.8 35.2 1.0
O C:HOH934 4.0 46.6 1.0
CG C:HIS563 4.2 35.6 1.0
ND1 C:HIS529 4.2 39.2 1.0
CD2 C:HIS525 4.2 45.1 1.0
ND1 C:HIS563 4.2 30.0 1.0
O C:HOH960 4.2 36.2 1.0
CG C:HIS529 4.2 40.3 1.0
CB C:ASP564 4.3 37.3 1.0
CB C:ASP674 4.4 40.8 1.0
NE2 C:HIS525 4.4 44.3 1.0
O C:HOH911 4.6 39.3 1.0
CG2 C:VAL533 4.7 37.3 1.0
CA C:ASP674 4.8 37.4 1.0
O C:ASP674 4.9 39.3 1.0

Zinc binding site 4 out of 4 in 5sh5

Go back to Zinc Binding Sites List in 5sh5
Zinc binding site 4 out of 4 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with 2- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile


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- Amino-4-Cyclohexyloxyquinoline-3-Carbonitrile within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Zn801

b:49.8
occ:1.00
 NE2 D:HIS563 2.1 42.5 1.0
O D:HOH906 2.1 35.8 1.0
OD2 D:ASP564 2.1 51.7 1.0
OD1 D:ASP674 2.2 51.0 1.0
NE2 D:HIS529 2.2 49.3 1.0
O D:HOH923 2.4 38.4 1.0
CD2 D:HIS563 2.9 40.6 1.0
CD2 D:HIS529 3.1 53.0 1.0
CG D:ASP674 3.1 43.8 1.0
CG D:ASP564 3.1 43.3 1.0
CE1 D:HIS563 3.3 43.2 1.0
CE1 D:HIS529 3.3 51.7 1.0
OD2 D:ASP674 3.4 54.0 1.0
OD1 D:ASP564 3.7 46.5 1.0
MG D:MG802 3.8 46.0 1.0
CG D:HIS563 4.1 41.8 1.0
O D:HOH913 4.1 50.2 1.0
O D:HOH919 4.1 43.0 1.0
CB D:ASP564 4.2 42.0 1.0
CD2 D:HIS525 4.2 54.2 1.0
ND1 D:HIS563 4.3 40.6 1.0
CG D:HIS529 4.3 47.6 1.0
ND1 D:HIS529 4.4 49.5 1.0
CB D:ASP674 4.5 47.4 1.0
O D:HOH916 4.5 44.5 1.0
NE2 D:HIS525 4.5 53.1 1.0
O D:ASP674 4.8 51.5 1.0
CG2 D:VAL533 4.8 47.0 1.0
CA D:ASP674 4.9 45.7 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 05:22:58 2024

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