Atomistry » Fluorine » PDB 5jxy-5ko1 » 5k0x
Atomistry »
  Fluorine »
    PDB 5jxy-5ko1 »
      5k0x »

Fluorine in PDB 5k0x: Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541

Enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541

All present enzymatic activity of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541:
2.7.10.1;

Protein crystallography data

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541, PDB code: 5k0x was solved by A.L.Mciver, W.Zhang, Q.Liu, X.Jiang, M.A.Stashko, J.Nichols, M.J.Miley, J.Norris-Drouin, M.Machius, D.Deryckere, E.Wood, D.K.Graham, H.S.Earp, D.Kireev, S.V.Frye, X.Wang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 27.86 / 2.23
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 51.671, 91.599, 69.769, 90.00, 102.37, 90.00
R / Rfree (%) 18.5 / 23.9

Other elements in 5k0x:

The structure of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 also contains other interesting chemical elements:

Chlorine (Cl) 5 atoms

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 (pdb code 5k0x). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541, PDB code: 5k0x:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in 5k0x

Go back to Fluorine Binding Sites List in 5k0x
Fluorine binding site 1 out of 2 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


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 the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F904

b:83.2
occ:1.00
F32 A:K0X904 0.0 83.2 1.0
C31 A:K0X904 1.4 55.3 1.0
C33 A:K0X904 2.4 47.6 1.0
C30 A:K0X904 2.4 64.8 1.0
H301 A:K0X904 2.6 77.7 1.0
H331 A:K0X904 2.6 57.1 1.0
HZ A:PHE673 3.6 39.8 1.0
C34 A:K0X904 3.7 45.9 1.0
C29 A:K0X904 3.7 51.1 1.0
C28 A:K0X904 4.2 34.3 1.0
H341 A:K0X904 4.4 55.0 1.0
H291 A:K0X904 4.4 61.4 1.0
CZ A:PHE673 4.5 33.1 1.0

Fluorine binding site 2 out of 2 in 5k0x

Go back to Fluorine Binding Sites List in 5k0x
Fluorine binding site 2 out of 2 in the Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Crystal Structure of the Catalytic Domain of the Proto-Oncogene Tyrosine-Protein Kinase Mer in Complex with Inhibitor UNC2541 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:F903

b:68.0
occ:1.00
F32 B:K0X903 0.0 68.0 1.0
C31 B:K0X903 1.4 43.9 1.0
C30 B:K0X903 2.4 52.8 1.0
C33 B:K0X903 2.4 47.8 1.0
H301 B:K0X903 2.6 63.4 1.0
H331 B:K0X903 2.6 57.4 1.0
C29 B:K0X903 3.7 51.6 1.0
C34 B:K0X903 3.7 36.9 1.0
HZ B:PHE673 4.2 35.2 1.0
C28 B:K0X903 4.2 37.6 1.0
H291 B:K0X903 4.4 61.9 1.0
H341 B:K0X903 4.4 44.3 1.0

Reference:

A.L.Mciver, W.Zhang, Q.Liu, X.Jiang, M.A.Stashko, J.Nichols, M.J.Miley, J.Norris-Drouin, M.Machius, D.Deryckere, E.Wood, D.K.Graham, H.S.Earp, D.Kireev, S.V.Frye, X.Wang. Discovery of Macrocyclic Pyrimidines As Mertk-Specific Inhibitors. Chemmedchem V. 12 207 2017.
ISSN: ESSN 1860-7187
PubMed: 28032464
DOI: 10.1002/CMDC.201600589
Page generated: Tue Jul 15 04:35:53 2025

Last articles

Fe in 2YXO
Fe in 2YRS
Fe in 2YXC
Fe in 2YNM
Fe in 2YVJ
Fe in 2YP1
Fe in 2YU2
Fe in 2YU1
Fe in 2YQB
Fe in 2YOO
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy