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Chlorine in PDB 5sjr: Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid

Enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid

All present enzymatic activity of Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid:
3.1.4.17;

Protein crystallography data

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid, PDB code: 5sjr was solved by C.Joseph, J.Benz, A.Flohr, M.Koerner, M.G.Rudolph, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.77 / 2.10
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 135.36, 135.36, 235.79, 90, 90, 120
R / Rfree (%) 20.9 / 26.3

Other elements in 5sjr:

The structure of Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid also contains other interesting chemical elements:

Fluorine (F) 4 atoms
Magnesium (Mg) 4 atoms
Zinc (Zn) 4 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid (pdb code 5sjr). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid, PDB code: 5sjr:

Chlorine binding site 1 out of 1 in 5sjr

Go back to Chlorine Binding Sites List in 5sjr
Chlorine binding site 1 out of 1 in the Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Human Phosphodiesterase 10 in Complex with (2R)- 2-[[3-Cyano-2-[4-(2-Ethoxyphenyl)Phenyl]-6-Fluoroquinolin-4- Yl]Amino]Propanoic Acid within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl804

b:51.5
occ:1.00
 O C:HOH989 3.1 49.1 1.0
NH1 A:ARG520 3.5 51.5 1.0
CA C:PHE482 4.2 36.9 1.0
CD A:ARG568 4.2 37.2 1.0
O C:PRO481 4.2 43.0 1.0
N C:GLU483 4.2 43.4 1.0
CB A:ARG568 4.2 34.1 1.0
CZ A:ARG520 4.4 55.9 1.0
CD2 C:PHE482 4.5 37.0 1.0
O C:HOH1021 4.6 41.8 1.0
CG A:ARG568 4.6 33.5 1.0
CD A:ARG520 4.6 45.7 1.0
C C:PHE482 4.7 38.5 1.0
NH1 A:ARG568 4.7 46.8 1.0
O A:ARG568 4.7 35.3 1.0
CG C:GLU483 4.9 53.6 1.0
NE A:ARG520 4.9 52.3 1.0
CA A:ARG568 4.9 32.6 1.0
CB C:PHE482 4.9 35.3 1.0
C C:PRO481 4.9 36.9 1.0
N C:PHE482 4.9 37.1 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: Fri Jul 26 16:56:37 2024

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