Magnesium in PDB 3krx: Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal)

All present enzymatic activity of Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal):
2.7.11.15;

The structure of Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal), PDB code: 3krx was solved by J.J.G.Tesmer, V.M.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 3.10
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	185.076, 73.290, 121.780, 90.00, 114.51, 90.00
R / Rfree (%)	23 / 27

The binding sites of Magnesium atom in the Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal) (pdb code 3krx). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal), PDB code: 3krx:

Magnesium binding site 1 out of 1 in the Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human GRK2 in Complex with Gbetgamma Subunits and Balanol (Co-Crystal) within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg691 b:0.7 occ:1.00 O A:VAL366 2.2 0.2 1.0 O A:GLU360 2.2 0.6 1.0 O A:HIS348 3.0 0.4 1.0 C A:VAL366 3.3 0.8 1.0 C A:GLU360 3.3 0.9 1.0 O A:GLN363 3.4 0.1 1.0 C A:HIS348 3.5 0.5 1.0 O A:VAL361 3.5 0.9 1.0 CD2 A:TYR368 3.6 0.1 1.0 CA A:VAL361 3.6 0.9 1.0 CE2 A:TYR368 3.6 0.5 1.0 CA A:HIS348 3.7 0.9 1.0 N A:VAL366 3.7 0.6 1.0 C A:VAL361 3.8 0.1 1.0 CA A:VAL366 3.8 0.8 1.0 O A:ALA349 3.8 0.7 1.0 N A:VAL361 3.9 0.5 1.0 CB A:VAL366 4.0 0.2 1.0 CB A:HIS348 4.2 1.0 1.0 N A:ALA367 4.4 0.1 1.0 N A:ALA349 4.4 0.4 1.0 C A:GLN363 4.5 0.6 1.0 O A:LYS364 4.5 0.5 1.0 CA A:GLU360 4.6 0.8 1.0 C A:GLY365 4.7 0.6 1.0 C A:ALA349 4.7 0.7 1.0 N A:GLN363 4.8 0.6 1.0 CA A:ALA367 4.8 0.2 1.0 N A:LEU362 4.8 0.0 1.0 CG1 A:VAL366 4.8 0.6 1.0 CG A:TYR368 4.9 0.2 1.0 CZ A:TYR368 4.9 0.1 1.0 C A:LYS364 4.9 0.2 1.0 CB A:VAL361 5.0 0.7 1.0 N A:HIS348 5.0 0.5 1.0

J.J.Tesmer, V.M.Tesmer, D.T.Lodowski, H.Steinhagen, J.Huber. Structure of Human G Protein-Coupled Receptor Kinase 2 in Complex with the Kinase Inhibitor Balanol. J.Med.Chem. V. 53 1867 2010.
ISSN: ISSN 0022-2623
PubMed: 20128603
DOI: 10.1021/JM9017515