Chlorine in PDB 4jqi: Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide

The structure of Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide, PDB code: 4jqi was solved by A.K.Shukla, A.Manglik, A.C.Kruse, K.Xiao, R.I.Reis, W.C.Tseng, D.P.Staus, D.Hilger, S.Uysal, L.H.Huang, M.Paduch, P.T.Shukla, A.Koide, S.Koide, W.I.Weis, A.A.Kossiakoff, B.K.Kobilka, R.J.Lefkowitz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.28 / 2.60
Space group	I 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	116.840, 125.128, 144.203, 90.00, 90.00, 90.00
R / Rfree (%)	20.1 / 24.7

The binding sites of Chlorine atom in the Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide (pdb code 4jqi). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide, PDB code: 4jqi:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl401 b:84.7 occ:0.78 N A:LEU306 3.0 58.6 1.0 O A:THR304 3.4 39.9 1.0 CA A:LEU305 3.6 41.1 1.0 CD2 A:LEU306 3.7 72.0 1.0 C A:LEU305 3.8 70.4 1.0 CA A:LEU306 3.9 66.1 1.0 CB A:LEU306 4.0 68.9 1.0 O A:LEU306 4.2 77.4 1.0 O A:HOH561 4.3 64.2 1.0 C A:THR304 4.4 47.5 1.0 O A:HOH559 4.4 46.6 1.0 O A:HOH560 4.4 41.7 1.0 CD2 A:LEU305 4.4 39.7 1.0 C A:LEU306 4.5 77.8 1.0 N A:LEU305 4.5 42.2 1.0 CG A:LEU306 4.5 67.3 1.0 CB A:LEU305 4.6 50.2 1.0 O A:HOH543 4.8 61.9 1.0 O A:LEU305 5.0 66.1 1.0

Chlorine binding site 2 out of 2 in the Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Active Beta-ARRESTIN1 Bound to A G Protein-Coupled Receptor Phosphopeptide within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl301 b:86.3 occ:1.00 N H:TYR63 3.4 58.2 1.0 NZ H:LYS68 3.4 83.2 1.0 CA H:TYR62 3.8 52.1 1.0 O H:TYR63 3.9 76.7 1.0 C H:TYR62 4.1 68.2 1.0 O H:THR61 4.3 62.0 1.0 CA H:TYR63 4.3 77.9 1.0 CD1 H:TYR63 4.5 57.0 1.0 CD H:LYS68 4.5 0.0 1.0 CB H:TYR62 4.5 51.7 1.0 CE H:LYS68 4.5 93.0 1.0 CB H:TYR63 4.6 59.0 1.0 C H:TYR63 4.6 60.1 1.0 CD1 H:TYR62 4.6 54.8 1.0 N H:TYR62 4.9 61.5 1.0 CG H:TYR62 5.0 50.5 1.0 C H:THR61 5.0 60.1 1.0

A.K.Shukla, A.Manglik, A.C.Kruse, K.Xiao, R.I.Reis, W.C.Tseng, D.P.Staus, D.Hilger, S.Uysal, L.Y.Huang, M.Paduch, P.Tripathi-Shukla, A.Koide, S.Koide, W.I.Weis, A.A.Kossiakoff, B.K.Kobilka, R.J.Lefkowitz. Structure of Active Beta-Arrestin-1 Bound to A G-Protein-Coupled Receptor Phosphopeptide. Nature V. 497 137 2013.
ISSN: ISSN 0028-0836
PubMed: 23604254
DOI: 10.1038/NATURE12120