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Fluorine in PDB 5ukl: Human GRK2 in Complex with Gbetagamma Subunits and CCG222886 (14BD)

Enzymatic activity of Human GRK2 in Complex with Gbetagamma Subunits and CCG222886 (14BD)

All present enzymatic activity of Human GRK2 in Complex with Gbetagamma Subunits and CCG222886 (14BD):
2.7.11.15;

Protein crystallography data

The structure of Human GRK2 in Complex with Gbetagamma Subunits and CCG222886 (14BD), PDB code: 5ukl 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 / 2.15
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 194.255, 71.429, 111.259, 90.00, 110.51, 90.00
R / Rfree (%) 18.2 / 22.8

Other elements in 5ukl:

The structure of Human GRK2 in Complex with Gbetagamma Subunits and CCG222886 (14BD) 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 Gbetagamma Subunits and CCG222886 (14BD) (pdb code 5ukl). 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 Gbetagamma Subunits and CCG222886 (14BD), PDB code: 5ukl:

Fluorine binding site 1 out of 1 in 5ukl

Go back to Fluorine Binding Sites List in 5ukl
Fluorine binding site 1 out of 1 in the Human GRK2 in Complex with Gbetagamma Subunits and CCG222886 (14BD)


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 Gbetagamma Subunits and CCG222886 (14BD) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F702

b:66.0
occ:1.00
 F A:SIX702 0.0 66.0 1.0
C A:SIX702 1.3 65.6 1.0
C5 A:SIX702 2.4 67.7 1.0
C1 A:SIX702 2.4 64.8 1.0
C6 A:SIX702 2.9 70.6 1.0
CD2 A:LEU222 3.1 67.9 1.0
O A:SIX702 3.2 75.5 1.0
O A:GLY203 3.4 74.1 1.0
C A:GLY203 3.4 77.3 1.0
C7 A:SIX702 3.5 75.5 1.0
N A:GLY203 3.6 79.7 1.0
C4 A:SIX702 3.6 66.1 1.0
C2 A:SIX702 3.6 64.8 1.0
CA A:GLY203 3.7 78.3 1.0
CE A:LYS220 3.9 71.2 1.0
N A:GLU204 4.0 76.0 1.0
C3 A:SIX702 4.1 65.1 1.0
CG A:LYS220 4.1 65.8 1.0
C A:PHE202 4.4 81.1 1.0
N A:GLY200 4.4 72.3 1.0
CD A:LYS220 4.5 67.6 1.0
CA A:GLU204 4.5 74.2 1.0
CA A:GLY200 4.6 73.9 1.0
CG A:LEU222 4.6 67.0 1.0
CB A:PHE202 4.7 83.6 1.0
C A:GLU204 4.7 72.8 1.0
N A:SIX702 4.8 79.7 1.0
CG2 A:VAL205 4.9 65.2 1.0
O A:CYS221 4.9 69.3 1.0
CA A:PHE202 4.9 84.2 1.0
N A:PHE202 4.9 87.0 1.0
NZ A:LYS220 4.9 69.7 1.0
O A:GLU204 5.0 73.6 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 15:41:02 2024

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