Calcium in PDB 6pjx: Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam)

All present enzymatic activity of Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam):
2.7.11.16;

The structure of Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam), PDB code: 6pjx was solved by A.Bhardwaj, K.E.Komolov, S.Sulon, J.L.Benovic, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.01 / 1.96
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	69.875, 83.061, 137.521, 90.00, 90.00, 90.00
R / Rfree (%)	19.6 / 23

The binding sites of Calcium atom in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam) (pdb code 6pjx). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam), PDB code: 6pjx:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca201 b:31.4 occ:1.00 OD1 B:ASP56 2.3 36.6 1.0 O B:HOH320 2.4 27.9 1.0 O B:THR62 2.4 37.5 1.0 OD1 B:ASN60 2.5 34.0 1.0 OE2 B:GLU67 2.6 37.2 1.0 OE1 B:GLU67 2.6 32.2 1.0 OD1 B:ASP58 2.6 38.0 1.0 O B:HOH325 2.6 26.6 1.0 CD B:GLU67 3.0 34.1 1.0 CG B:ASN60 3.3 39.1 1.0 CG B:ASP56 3.4 36.4 1.0 CG B:ASP58 3.5 45.7 1.0 C B:THR62 3.6 32.5 1.0 ND2 B:ASN60 3.6 38.0 1.0 OD2 B:ASP58 3.8 42.3 1.0 OD2 B:ASP56 4.1 36.7 1.0 CB B:ASP56 4.2 36.6 1.0 N B:ILE63 4.3 30.3 1.0 CA B:ILE63 4.3 27.3 1.0 N B:ASP64 4.4 27.7 1.0 N B:THR62 4.4 34.9 1.0 OG1 B:THR62 4.4 28.6 1.0 CA B:ASP56 4.4 37.9 1.0 N B:ASN60 4.4 45.7 1.0 CG B:GLU67 4.5 31.9 1.0 N B:ASP58 4.5 46.0 1.0 CA B:THR62 4.6 30.3 1.0 CB B:ASN60 4.6 41.7 1.0 C B:ILE63 4.7 27.9 1.0 N B:ALA57 4.7 44.7 1.0 N B:GLY59 4.8 47.3 1.0 CG B:ASP64 4.8 36.1 1.0 CB B:ASP58 4.8 43.4 1.0 C B:ASP56 4.8 46.1 1.0 O B:HOH343 4.8 32.6 1.0 OD1 B:ASP64 4.9 36.2 1.0 O B:HOH315 4.9 40.7 1.0 CA B:ASN60 4.9 45.3 1.0 OD2 B:ASP64 4.9 35.1 1.0 N B:GLY61 5.0 40.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of G Protein-Coupled Receptor Kinase 5 (GRK5) in Complex with Calmodulin (Cam) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca202 b:22.2 occ:1.00 OD1 B:ASP20 2.3 22.7 1.0 O B:THR26 2.4 24.3 1.0 OE2 B:GLU31 2.4 25.3 1.0 OD1 B:ASP24 2.4 20.4 1.0 OD2 B:ASP22 2.5 25.9 1.0 OE1 B:GLU31 2.5 24.5 1.0 CD B:GLU31 2.8 25.6 1.0 CG B:ASP24 3.4 23.4 1.0 CG B:ASP22 3.4 26.1 1.0 CG B:ASP20 3.4 25.8 1.0 C B:THR26 3.5 23.6 1.0 OD1 B:ASP22 3.8 27.5 1.0 CA B:ASP20 4.0 27.9 1.0 OD2 B:ASP24 4.0 25.2 1.0 OG1 B:THR26 4.0 23.7 1.0 CB B:ASP20 4.1 27.9 1.0 N B:ASP24 4.1 28.8 1.0 N B:THR26 4.2 23.9 1.0 CG B:GLU31 4.3 24.7 1.0 CB B:ASP24 4.3 26.3 1.0 OD2 B:ASP20 4.4 24.6 1.0 CA B:THR26 4.4 23.4 1.0 C B:ASP20 4.4 27.2 1.0 N B:ILE27 4.5 20.9 1.0 N B:ASP22 4.5 19.6 1.0 CA B:ILE27 4.6 19.4 1.0 N B:LYS21 4.6 25.1 1.0 O B:HOH329 4.6 44.9 1.0 N B:GLY23 4.6 26.4 1.0 CA B:ASP24 4.7 26.1 1.0 CB B:ASP22 4.7 23.5 1.0 N B:THR28 4.8 25.3 1.0 N B:GLY25 4.8 22.5 1.0 CB B:THR26 4.8 26.7 1.0 CG2 B:THR28 4.9 23.4 1.0 C B:ASP24 4.9 25.6 1.0 CA B:ASP22 5.0 26.7 1.0

A.Bhardwaj, K.E.Komolov, S.Sulon, J.L.Benovic. Structure of A GRK5-Calmodulin Complex Reveals Molecular Mechanism of Grk Activation and Substrate Targeting Mol.Cell 2020.
ISSN: ISSN 1097-2765