Atomistry » Fluorine » PDB 5ko1-5lca » 5kup
Atomistry »
  Fluorine »
    PDB 5ko1-5lca »
      5kup »

Fluorine in PDB 5kup: Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9

Enzymatic activity of Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9

All present enzymatic activity of Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9:
2.7.10.2;

Protein crystallography data

The structure of Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9, PDB code: 5kup was solved by C.Eigenbrot, C.Yu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.47 / 1.39
Space group P 61
Cell size a, b, c (Å), α, β, γ (°) 108.373, 108.373, 42.453, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 17.7

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9 (pdb code 5kup). 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 Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9, PDB code: 5kup:

Fluorine binding site 1 out of 1 in 5kup

Go back to Fluorine Binding Sites List in 5kup
Fluorine binding site 1 out of 1 in the Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Bruton'S Tyrosine Kinase (Btk) with Pyridazinone Compound 9 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F706

b:14.4
occ:1.00
F16 A:6XL706 0.0 14.4 1.0
C14 A:6XL706 1.3 13.1 1.0
C15 A:6XL706 2.4 11.9 1.0
C13 A:6XL706 2.4 11.4 1.0
O12 A:6XL706 2.7 12.1 1.0
C11 A:6XL706 2.9 11.3 1.0
NZ A:LYS430 3.2 12.7 1.0
CD2 A:PHE413 3.3 13.8 1.0
CE A:LYS430 3.3 14.7 1.0
CD A:LYS430 3.5 11.8 1.0
C5 A:6XL706 3.6 11.3 1.0
O A:HOH987 3.6 13.4 1.0
C7 A:6XL706 3.6 13.0 1.0
CE2 A:PHE413 3.7 14.4 1.0
OD1 A:ASP539 3.7 16.8 1.0
CG A:ASP539 3.9 14.0 1.0
OD2 A:ASP539 4.0 16.8 1.0
C6 A:6XL706 4.1 13.8 1.0
CD1 A:LEU542 4.2 13.8 1.0
N10 A:6XL706 4.2 11.8 1.0
CG A:PHE413 4.4 12.6 1.0
O39 A:6XL706 4.7 12.0 1.0
CB A:ASP539 4.7 13.0 1.0
CB A:PHE413 4.7 12.5 1.0
N A:PHE413 4.8 12.5 1.0
CG A:LYS430 4.8 11.8 1.0
C8 A:6XL706 4.8 14.6 1.0
C2 A:6XL706 4.9 13.1 1.0
C4 A:6XL706 4.9 20.3 1.0
CZ A:PHE413 5.0 13.4 1.0
N A:GLN412 5.0 14.2 1.0

Reference:

A.R.Johnson, P.B.Kohli, A.Katewa, E.Gogol, L.D.Belmont, R.Choy, E.Penuel, L.Burton, C.Eigenbrot, C.Yu, D.F.Ortwine, K.Bowman, Y.Franke, C.Tam, A.Estevez, K.Mortara, J.Wu, H.Li, M.Lin, P.Bergeron, J.J.Crawford, W.B.Young. Battling Btk Mutants with Noncovalent Inhibitors That Overcome CYS481 and THR474 Mutations. Acs Chem.Biol. V. 11 2897 2016.
ISSN: ESSN 1554-8937
PubMed: 27571029
DOI: 10.1021/ACSCHEMBIO.6B00480
Page generated: Thu Aug 1 11:15:01 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy