Fluorine in PDB 1rw8: Crystal Structure of Tgf-Beta Receptor I Kinase with Atp Site Inhibitor

All present enzymatic activity of Crystal Structure of Tgf-Beta Receptor I Kinase with Atp Site Inhibitor:
2.7.1.37;

The structure of Crystal Structure of Tgf-Beta Receptor I Kinase with Atp Site Inhibitor, PDB code: 1rw8 was solved by F.Zhang, J.S.Sawyer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.40
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	41.961, 84.961, 84.085, 90.00, 90.00, 90.00
R / Rfree (%)	26 / 29.1

The binding sites of Fluorine atom in the Crystal Structure of Tgf-Beta Receptor I Kinase with Atp Site Inhibitor (pdb code 1rw8). 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 Tgf-Beta Receptor I Kinase with Atp Site Inhibitor, PDB code: 1rw8:

Fluorine binding site 1 out of 1 in the Crystal Structure of Tgf-Beta Receptor I Kinase with Atp Site Inhibitor


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 Tgf-Beta Receptor I Kinase with Atp Site Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:15.9 occ:1.00 F34 A:580501 0.0 15.9 1.0 C19 A:580501 1.3 16.4 1.0 C18 A:580501 2.3 16.6 1.0 C20 A:580501 2.4 15.9 1.0 N A:HIS283 2.9 15.8 1.0 CD1 A:TYR282 3.3 10.7 1.0 O A:HIS283 3.5 18.5 1.0 C17 A:580501 3.6 15.0 1.0 C21 A:580501 3.7 15.7 1.0 CA A:TYR282 3.7 13.3 1.0 CE1 A:TYR282 3.8 14.5 1.0 C A:TYR282 3.8 16.0 1.0 CA A:HIS283 3.8 15.4 1.0 CB A:ALA230 3.8 15.2 1.0 CD1 A:ILE211 3.9 40.5 1.0 C A:HIS283 3.9 16.9 1.0 O A:HOH11 4.0 20.0 1.0 CG A:TYR282 4.1 11.9 1.0 CB A:HIS283 4.1 14.6 1.0 C16 A:580501 4.2 17.5 1.0 O A:ASP281 4.4 16.4 1.0 CB A:TYR282 4.4 10.7 1.0 CD2 A:LEU340 4.7 19.4 1.0 N A:TYR282 4.9 14.6 1.0 CZ A:TYR282 4.9 16.2 1.0 CG A:HIS283 4.9 12.5 1.0 CA A:ALA230 5.0 15.1 1.0

J.S.Sawyer, D.W.Beight, K.S.Britt, B.D.Anderson, R.M.Campbell, T.Goodson Jr., D.K.Herron, H.Y.Li, W.T.Mcmillen, N.Mort, S.Parsons, E.C.Smith, J.R.Wagner, L.Yan, F.Zhang, J.M.Yingling. Synthesis and Activity of New Aryl- and Heteroaryl-Substituted 5,6-Dihydro-4H-Pyrrolo[1,2-B]Pyrazole Inhibitors of the Transforming Growth Factor-Beta Type I Receptor Kinase Domain. Bioorg.Med.Chem.Lett. V. 14 3581 2004.
ISSN: ISSN 0960-894X
PubMed: 15177479
DOI: 10.1016/J.BMCL.2004.04.007