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Magnesium in PDB 3v5w: Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine

Enzymatic activity of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine

All present enzymatic activity of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine:
2.7.11.15;

Protein crystallography data

The structure of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine, PDB code: 3v5w was solved by D.M.Thal, J.J.G.Tesmer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.53 / 2.07
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 194.973, 71.011, 111.169, 90.00, 110.41, 90.00
R / Rfree (%) 19.3 / 24.7

Other elements in 3v5w:

The structure of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine (pdb code 3v5w). 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 G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine, PDB code: 3v5w:

Magnesium binding site 1 out of 1 in 3v5w

Go back to Magnesium Binding Sites List in 3v5w
Magnesium binding site 1 out of 1 in the Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Human G Protein-Coupled Receptor Kinase 2 in Complex with Soluble Gbetagamma Subunits and Paroxetine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg702

b:66.7
occ:1.00
 O A:GLN363 2.1 86.5 1.0
O A:VAL366 2.2 77.2 1.0
O A:GLU360 2.5 73.8 1.0
O A:HIS348 2.5 76.9 1.0
C A:GLN363 3.1 86.3 1.0
C A:VAL366 3.3 78.6 1.0
O A:VAL361 3.4 79.6 1.0
C A:HIS348 3.5 77.4 1.0
C A:GLU360 3.6 75.1 1.0
C A:VAL361 3.8 77.0 1.0
CA A:HIS348 3.8 78.9 1.0
N A:LYS364 3.8 88.9 1.0
CD2 A:TYR368 3.8 65.7 1.0
CA A:VAL361 3.8 74.6 1.0
N A:VAL366 3.9 83.4 1.0
CB A:VAL366 3.9 80.3 1.0
CA A:VAL366 3.9 80.7 1.0
CA A:LYS364 3.9 90.0 1.0
CE2 A:TYR368 4.0 65.8 1.0
CA A:GLN363 4.1 84.4 1.0
N A:GLN363 4.1 83.1 1.0
N A:VAL361 4.2 74.8 1.0
C A:LYS364 4.2 90.8 1.0
CB A:HIS348 4.3 83.4 1.0
N A:GLY365 4.4 90.0 1.0
CB A:GLN363 4.4 83.8 1.0
N A:ALA367 4.5 77.0 1.0
N A:ALA349 4.7 75.6 1.0
N A:LEU362 4.8 76.8 1.0
C A:GLY365 4.8 87.1 1.0
CG1 A:VAL366 4.8 79.1 1.0
CA A:GLU360 4.8 76.5 1.0
O A:LYS364 4.8 92.6 1.0
C A:LEU362 4.8 83.0 1.0
CA A:ALA367 4.8 73.7 1.0
CG2 A:VAL366 4.9 81.8 1.0
C A:ALA349 4.9 78.3 1.0
O A:ALA349 5.0 79.0 1.0

Reference:

D.M.Thal, K.T.Homan, J.Chen, E.K.Wu, P.M.Hinkle, Z.M.Huang, J.K.Chuprun, J.Song, E.Gao, J.Y.Cheung, L.A.Sklar, W.J.Koch, J.J.Tesmer. Paroxetine Is A Direct Inhibitor of G Protein-Coupled Receptor Kinase 2 and Increases Myocardial Contractility. Acs Chem.Biol. V. 7 1830 2012.
ISSN: ISSN 1554-8929
PubMed: 22882301
DOI: 10.1021/CB3003013
Page generated: Mon Dec 14 08:58:01 2020

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