Fluorine in PDB 3piy: Crystal Structure of Btk Kinase Domain Complexed with R406

All present enzymatic activity of Crystal Structure of Btk Kinase Domain Complexed with R406:
2.7.10.2;

The structure of Crystal Structure of Btk Kinase Domain Complexed with R406, PDB code: 3piy was solved by A.Kuglstatter, A.Wong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.04 / 2.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	70.905, 105.013, 38.052, 90.00, 90.00, 90.00
R / Rfree (%)	22.5 / 29.5

The binding sites of Fluorine atom in the Crystal Structure of Btk Kinase Domain Complexed with R406 (pdb code 3piy). 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 Btk Kinase Domain Complexed with R406, PDB code: 3piy:

Fluorine binding site 1 out of 1 in the Crystal Structure of Btk Kinase Domain Complexed with R406


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 Btk Kinase Domain Complexed with R406 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1 b:14.0 occ:1.00 F25 A:5851 0.0 14.0 1.0 C11 A:5851 1.4 16.4 1.0 C4 A:5851 2.4 17.1 1.0 C22 A:5851 2.4 14.9 1.0 N10 A:5851 2.7 18.8 1.0 OG1 A:THR474 3.0 20.2 1.0 N2 A:5851 3.6 18.0 1.0 N17 A:5851 3.6 14.7 1.0 CB A:ALA428 3.6 30.4 1.0 C7 A:5851 4.1 17.9 1.0 C14 A:5851 4.1 21.1 1.0 CD1 A:LEU528 4.1 15.8 1.0 CB A:THR474 4.2 19.1 1.0 O A:GLU475 4.2 15.2 1.0 CG1 A:VAL458 4.3 16.0 1.0 CG2 A:THR474 4.5 19.2 1.0 N6 A:5851 4.8 23.6 1.0 CG1 A:VAL416 5.0 34.5 1.0

A.Kuglstatter, A.Wong, S.Tsing, S.W.Lee, Y.Lou, A.G.Villasenor, J.M.Bradshaw, D.Shaw, J.W.Barnett, M.F.Browner. Insights Into the Conformational Flexibility of Bruton'S Tyrosine Kinase From Multiple Ligand Complex Structures. Protein Sci. V. 20 428 2011.
ISSN: ISSN 0961-8368
PubMed: 21280133
DOI: 10.1002/PRO.575