Chlorine in PDB 4wbo: Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox

All present enzymatic activity of Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox:
2.7.11.14;

The structure of Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox, PDB code: 4wbo was solved by K.T.Homan, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.89 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	118.112, 119.166, 174.261, 90.00, 90.00, 90.00
R / Rfree (%)	24.1 / 26.7

The binding sites of Chlorine atom in the Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox (pdb code 4wbo). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox, PDB code: 4wbo:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl602 b:60.2 occ:1.00 N A:LEU166 3.2 51.0 1.0 CB A:SER165 3.6 50.4 1.0 CG A:LEU166 3.7 53.6 1.0 CB A:LEU166 3.8 50.6 1.0 CA A:SER165 3.8 52.5 1.0 C A:SER165 4.0 51.2 1.0 CA A:LEU166 4.1 50.0 1.0 CD1 A:LEU166 4.2 54.4 1.0 CE1 A:TYR167 4.3 47.9 1.0 CD1 A:TYR167 4.4 47.1 1.0 OG A:SER165 4.5 48.4 1.0 N A:TYR167 4.9 47.2 1.0 CD2 A:LEU166 5.0 55.3 1.0

Chlorine binding site 2 out of 4 in the Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl602 b:63.3 occ:1.00 O B:HOH701 3.4 49.1 1.0 N B:LEU166 3.6 51.8 1.0 CG B:LEU166 3.8 55.4 1.0 CB B:LEU166 4.0 52.1 1.0 CB B:SER165 4.0 52.9 1.0 CD1 B:LEU166 4.1 56.9 1.0 CE2 B:TYR167 4.2 51.0 1.0 CA B:SER165 4.3 54.3 1.0 CA B:LEU166 4.4 51.3 1.0 CD2 B:TYR167 4.4 49.6 1.0 C B:SER165 4.5 52.5 1.0 OG B:SER165 4.9 50.6 1.0

Chlorine binding site 3 out of 4 in the Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl602 b:60.8 occ:1.00 N C:LEU166 3.4 60.6 1.0 CG C:LEU166 3.8 64.0 1.0 CB C:SER165 3.8 60.8 1.0 CB C:LEU166 4.0 60.4 1.0 CA C:SER165 4.0 62.8 1.0 CD1 C:LEU166 4.2 65.2 1.0 C C:SER165 4.2 61.2 1.0 CA C:LEU166 4.3 59.9 1.0 CE1 C:TYR167 4.5 55.6 1.0 CD1 C:TYR167 4.5 54.6 1.0 OG C:SER165 4.7 58.0 1.0

Chlorine binding site 4 out of 4 in the Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bovine G Protein Coupled Receptor Kinase 1 in Complex with Amlexanox within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl602 b:64.4 occ:1.00 N D:LEU166 3.3 62.3 1.0 CB D:SER165 3.5 66.2 1.0 CA D:SER165 3.8 66.3 1.0 CG D:LEU166 3.9 64.1 1.0 CB D:LEU166 4.0 60.8 1.0 C D:SER165 4.0 63.3 1.0 CA D:LEU166 4.3 59.8 1.0 CD1 D:LEU166 4.4 65.4 1.0 OG D:SER165 4.5 64.0 1.0 CE2 D:TYR167 4.5 61.8 1.0 CD2 D:TYR167 4.5 60.0 1.0

K.T.Homan, E.Wu, A.Cannavo, W.J.Koch, J.J.Tesmer. Identification and Characterization of Amlexanox As A G Protein-Coupled Receptor Kinase 5 Inhibitor. Molecules V. 19 16937 2014.
ISSN: ESSN 1420-3049
PubMed: 25340299
DOI: 10.3390/MOLECULES191016937