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Fluorine in PDB 5ukk: Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK)

Enzymatic activity of Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK)

All present enzymatic activity of Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK):
2.7.11.15;

Protein crystallography data

The structure of Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK), PDB code: 5ukk was solved by M.C.Cato, 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) 30.00 / 2.60
Space group P 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 113.123, 62.423, 102.035, 90.00, 92.81, 90.00
R / Rfree (%) 22.1 / 28.1

Other elements in 5ukk:

The structure of Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK) also contains other interesting chemical elements:

Magnesium (Mg) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK) (pdb code 5ukk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK), PDB code: 5ukk:

Fluorine binding site 1 out of 1 in 5ukk

Go back to Fluorine Binding Sites List in 5ukk
Fluorine binding site 1 out of 1 in the Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK)


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human GRK2 in Complex with Human G-Beta-Gamma Subunits and CCG211998 (14AK) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F702

b:68.7
occ:1.00
 F A:8DJ702 0.0 68.7 1.0
C A:8DJ702 1.3 69.0 1.0
C5 A:8DJ702 2.4 69.6 1.0
C1 A:8DJ702 2.4 67.9 1.0
C6 A:8DJ702 2.8 73.1 1.0
O A:8DJ702 2.9 71.6 1.0
C A:GLY203 3.3 70.4 1.0
CD2 A:LEU222 3.3 70.7 1.0
O A:GLY203 3.4 71.4 1.0
N A:GLY203 3.4 74.3 1.0
CA A:GLY203 3.5 72.5 1.0
C4 A:8DJ702 3.6 68.1 1.0
C2 A:8DJ702 3.7 67.0 1.0
N A:GLU204 3.7 68.5 1.0
N A:8DJ702 3.9 77.1 1.0
C3 A:8DJ702 4.2 66.3 1.0
CE A:LYS220 4.2 70.7 1.0
N A:GLY200 4.3 69.0 1.0
C A:PHE202 4.3 76.0 1.0
CA A:GLY200 4.4 68.9 1.0
CA A:GLU204 4.4 67.0 1.0
CG A:LYS220 4.6 66.1 1.0
C A:GLU204 4.7 63.0 1.0
CG A:LEU222 4.8 70.4 1.0
N A:PHE202 4.8 78.4 1.0
C A:GLY200 4.8 70.7 1.0
C9 A:8DJ702 4.9 85.4 1.0
CA A:PHE202 4.9 78.7 1.0
O A:GLU204 5.0 60.5 1.0
NZ A:LYS220 5.0 71.5 1.0

Reference:

H.V.Waldschmidt, K.T.Homan, M.C.Cato, O.Cruz-Rodriguez, A.Cannavo, M.W.Wilson, J.Song, J.Y.Cheung, W.J.Koch, J.J.Tesmer, S.D.Larsen. Structure-Based Design of Highly Selective and Potent G Protein-Coupled Receptor Kinase 2 Inhibitors Based on Paroxetine. J. Med. Chem. V. 60 3052 2017.
ISSN: ISSN 1520-4804
PubMed: 28323425
DOI: 10.1021/ACS.JMEDCHEM.7B00112
Page generated: Thu Aug 1 15:40:11 2024

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