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Fluorine in PDB 4wnk: Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022

Enzymatic activity of Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022

All present enzymatic activity of Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022:
2.7.11.16;

Protein crystallography data

The structure of Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022, PDB code: 4wnk was solved by 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) 24.47 / 2.42
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 48.106, 70.104, 182.825, 90.00, 90.00, 90.00
R / Rfree (%) 19.4 / 24.3

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022 (pdb code 4wnk). 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 Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022, PDB code: 4wnk:

Fluorine binding site 1 out of 1 in 4wnk

Go back to Fluorine Binding Sites List in 4wnk
Fluorine binding site 1 out of 1 in the Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Bovine G Protein Coupled-Receptor Kinase 5 in Complex with CCG215022 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F701

b:57.6
occ:1.00
 FBA A:453701 0.0 57.6 1.0
CAX A:453701 1.3 50.9 1.0
CAY A:453701 2.3 51.7 1.0
CAW A:453701 2.3 53.4 1.0
CBB A:453701 2.8 54.6 1.0
OBC A:453701 2.9 56.9 1.0
N A:GLY198 3.1 64.1 1.0
CE A:LYS215 3.4 58.5 1.0
CD2 A:LEU217 3.5 62.9 1.0
C A:GLY198 3.5 59.8 1.0
CAZ A:453701 3.6 51.9 1.0
O A:GLY198 3.6 62.1 1.0
CAV A:453701 3.6 53.5 1.0
CA A:GLY198 3.6 60.6 1.0
C A:PHE197 3.7 64.4 1.0
NBD A:453701 3.8 56.0 1.0
CAU A:453701 4.1 52.1 1.0
N A:GLU199 4.1 59.1 1.0
CG A:LYS215 4.2 51.5 1.0
CA A:PHE197 4.3 65.1 1.0
N A:PHE197 4.3 64.6 1.0
CB A:PHE197 4.3 63.3 1.0
CD A:LYS215 4.3 53.7 1.0
NZ A:LYS215 4.4 58.2 1.0
O A:PHE197 4.4 66.8 1.0
NBG A:453701 4.6 61.8 1.0
CA A:GLY195 4.6 55.0 1.0
C A:GLY195 4.8 55.3 1.0
N A:GLY195 4.8 58.4 1.0
CA A:GLU199 4.8 62.5 1.0
CBE A:453701 4.8 57.9 1.0
CG A:LEU217 4.8 60.7 1.0
O A:ARG216 4.8 61.3 1.0
CBF A:453701 4.9 59.6 1.0
O A:GLY195 4.9 57.5 1.0

Reference:

K.T.Homan, H.V.Waldschmidt, A.Glukhova, A.Cannavo, J.Song, J.Y.Cheung, W.J.Koch, S.D.Larsen, J.J.Tesmer. Crystal Structure of G Protein-Coupled Receptor Kinase 5 in Complex with A Rationally Designed Inhibitor. J.Biol.Chem. V. 290 20649 2015.
ISSN: ESSN 1083-351X
PubMed: 26032411
DOI: 10.1074/JBC.M115.647370
Page generated: Thu Aug 1 06:28:06 2024

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