Fluorine in PDB 5p9l: BTK1 in Complex with Cc 292

All present enzymatic activity of BTK1 in Complex with Cc 292:
2.7.10.2;

The structure of BTK1 in Complex with Cc 292, PDB code: 5p9l was solved by A.S.Gardberg, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.31 / 1.25
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.022, 104.681, 38.311, 90.00, 90.00, 90.00
R / Rfree (%)	26.5 / 28

The binding sites of Fluorine atom in the BTK1 in Complex with Cc 292 (pdb code 5p9l). 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 BTK1 in Complex with Cc 292, PDB code: 5p9l:

Fluorine binding site 1 out of 1 in the BTK1 in Complex with Cc 292


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of BTK1 in Complex with Cc 292 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:16.5 occ:1.00 F31 A:7G9701 0.0 16.5 1.0 C1 A:7G9701 1.3 15.4 1.0 C2 A:7G9701 2.3 12.3 1.0 C6 A:7G9701 2.5 14.2 1.0 N19 A:7G9701 2.8 18.2 1.0 O A:HOH886 2.9 26.3 1.0 O A:HOH966 3.0 18.6 1.0 OG1 A:THR474 3.4 17.5 1.0 N3 A:7G9701 3.5 12.1 1.0 N5 A:7G9701 3.6 14.5 1.0 CB A:ALA428 3.7 12.9 1.0 CD1 A:LEU528 3.8 10.0 1.0 C4 A:7G9701 4.0 12.3 1.0 C20 A:7G9701 4.2 21.5 1.0 O A:GLU475 4.2 14.5 1.0 CG1 A:VAL416 4.7 18.9 1.0 CB A:THR474 4.8 13.5 1.0 C21 A:7G9701 5.0 23.3 1.0

A.T.Bender, A.Gardberg, A.Pereira, T.Johnson, Y.Wu, R.Grenningloh, J.Head, F.Morandi, P.Haselmayer, L.Liu-Bujalski. Ability of Bruton'S Tyrosine Kinase Inhibitors to Sequester Y551 and Prevent Phosphorylation Determines Potency For Inhibition of Fc Receptor But Not B-Cell Receptor Signaling. Mol. Pharmacol. V. 91 208 2017.
ISSN: ESSN 1521-0111
PubMed: 28062735
DOI: 10.1124/MOL.116.107037