Fluorine in PDB 7l5o: Crystal Structure of the Noncovalently Bonded Complex of Rilzabrutinib with Btk

All present enzymatic activity of Crystal Structure of the Noncovalently Bonded Complex of Rilzabrutinib with Btk:
2.7.10.2;

The structure of Crystal Structure of the Noncovalently Bonded Complex of Rilzabrutinib with Btk, PDB code: 7l5o was solved by J.M.Bradshaw, K.A.Brameld, M.Mrosek, A.Lammens, M.Blaesse, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	59.39 / 1.21
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	72.139, 104.627, 37.953, 90, 90, 90
R / Rfree (%)	16.5 / 17.8

The binding sites of Fluorine atom in the Crystal Structure of the Noncovalently Bonded Complex of Rilzabrutinib with Btk (pdb code 7l5o). 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 the Noncovalently Bonded Complex of Rilzabrutinib with Btk, PDB code: 7l5o:

Fluorine binding site 1 out of 1 in the Crystal Structure of the Noncovalently Bonded Complex of Rilzabrutinib with Btk


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 the Noncovalently Bonded Complex of Rilzabrutinib with Btk within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:13.2 occ:1.00 F1 A:R1L701 0.0 13.2 1.0 C2 A:R1L701 1.3 11.9 1.0 C3 A:R1L701 2.3 13.0 1.0 C14 A:R1L701 2.4 11.9 1.0 C15 A:R1L701 2.8 11.2 1.0 CB A:ALA428 3.2 9.9 1.0 N23 A:R1L701 3.2 10.1 1.0 C24 A:R1L701 3.2 9.7 1.0 CG1 A:VAL416 3.3 15.3 1.0 C22 A:R1L701 3.4 9.1 1.0 C4 A:R1L701 3.6 15.1 1.0 OG1 A:THR474 3.6 11.3 1.0 C13 A:R1L701 3.6 15.4 1.0 N16 A:R1L701 3.7 11.8 1.0 C12 A:R1L701 4.1 16.2 1.0 CB A:LYS430 4.1 15.3 1.0 C A:ALA428 4.2 9.1 1.0 CA A:ALA428 4.3 8.9 1.0 C18 A:R1L701 4.3 10.0 1.0 N A:ILE429 4.4 10.0 1.0 N A:LYS430 4.4 12.9 1.0 CG2 A:VAL416 4.4 17.2 1.0 CB A:VAL416 4.5 15.3 1.0 O A:ALA428 4.5 10.5 1.0 N17 A:R1L701 4.5 11.7 1.0 N21 A:R1L701 4.6 9.9 1.0 C A:ILE429 4.6 12.4 1.0 CA A:LYS430 4.7 14.1 1.0 O5 A:R1L701 4.7 17.5 1.0 CG2 A:THR474 4.8 12.7 1.0 CB A:THR474 4.8 10.9 1.0 CD A:LYS430 4.8 24.5 1.0 O A:ILE429 5.0 14.4 1.0 CA A:ILE429 5.0 10.9 1.0

T.D.Owens, J.M.Bradshaw, K.A.Brameld, M.Mrosek, A.Lammens, M.Blaesse. N/A N/A.