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Fluorine in PDB 3lxl: Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6

Enzymatic activity of Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6

All present enzymatic activity of Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6:
2.7.10.2;

Protein crystallography data

The structure of Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6, PDB code: 3lxl was solved by J.E.Chrencik, T.E.Benson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 25.13 / 1.74
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 47.192, 75.187, 89.070, 90.00, 90.00, 90.00
R / Rfree (%) 19.3 / 22.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6 (pdb code 3lxl). 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 Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6, PDB code: 3lxl:

Fluorine binding site 1 out of 1 in 3lxl

Go back to Fluorine Binding Sites List in 3lxl
Fluorine binding site 1 out of 1 in the Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F1

b:20.1
occ:1.00
 F1 A:IZA1 0.0 20.1 1.0
C6 A:IZA1 1.4 19.9 1.0
C5 A:IZA1 2.4 19.8 1.0
C7 A:IZA1 2.4 21.5 1.0
CA A:GLY908 3.3 20.7 1.0
O A:LEU905 3.4 18.9 1.0
C4 A:IZA1 3.6 20.6 1.0
N A:GLY908 3.7 20.4 1.0
C8 A:IZA1 3.7 19.8 1.0
CD2 A:LEU828 3.8 18.1 1.0
O A:PRO906 3.9 20.2 1.0
CE1 A:TYR904 3.9 20.4 1.0
C3 A:IZA1 4.1 19.6 1.0
C A:PRO906 4.2 20.3 1.0
CA A:PRO906 4.3 20.5 1.0
C A:LEU905 4.4 19.5 1.0
OH A:TYR904 4.6 20.2 1.0
O0 A:IZA1 4.6 20.1 1.0
CG A:LEU828 4.6 19.0 1.0
C A:GLY908 4.6 20.5 1.0
C A:SER907 4.7 21.1 1.0
CZ A:TYR904 4.7 17.1 1.0
CD1 A:TYR904 4.7 17.1 1.0
O A:HOH134 4.8 31.9 1.0
CB A:LEU828 4.8 20.2 1.0
O A:HOH58 4.8 31.4 1.0
CD1 A:LEU828 4.8 19.9 1.0
N A:PRO906 4.8 20.0 1.0
C10 A:IZA1 4.8 18.7 1.0
N A:SER907 4.9 20.9 1.0

Reference:

J.E.Chrencik, A.Patny, I.K.Leung, B.Korniski, T.L.Emmons, T.Hall, R.A.Weinberg, J.A.Gormley, J.M.Williams, J.E.Day, J.L.Hirsch, J.R.Kiefer, J.W.Leone, H.D.Fischer, C.D.Sommers, H.C.Huang, E.J.Jacobsen, R.E.Tenbrink, A.G.Tomasselli, T.E.Benson. Structural and Thermodynamic Characterization of the TYK2 and JAK3 Kinase Domains in Complex with Cp-690550 and Cmp-6. J.Mol.Biol. V. 400 413 2010.
ISSN: ISSN 0022-2836
PubMed: 20478313
DOI: 10.1016/J.JMB.2010.05.020
Page generated: Wed Jul 31 20:37:17 2024

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