Fluorine in PDB 5xhc: Crystal Structure of T2R-Ttl-PO10 Complex

The structure of Crystal Structure of T2R-Ttl-PO10 Complex, PDB code: 5xhc was solved by Y.Chu, Y.Wang, J.Yang, W.Li, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	119.38 / 2.75
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	105.257, 157.885, 182.427, 90.00, 90.00, 90.00
R / Rfree (%)	22.7 / 27.7

The structure of Crystal Structure of T2R-Ttl-PO10 Complex also contains other interesting chemical elements:

Magnesium	(Mg)	4 atoms
Calcium	(Ca)	3 atoms

The binding sites of Fluorine atom in the Crystal Structure of T2R-Ttl-PO10 Complex (pdb code 5xhc). 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 T2R-Ttl-PO10 Complex, PDB code: 5xhc:

Fluorine binding site 1 out of 1 in the Crystal Structure of T2R-Ttl-PO10 Complex


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 T2R-Ttl-PO10 Complex within 5.0Å range: probe atom residue distance (Å) B Occ B:F505 b:54.9 occ:1.00 FAG B:87U505 0.0 54.9 1.0 CAX B:87U505 1.2 54.6 1.0 CAN B:87U505 2.3 55.5 1.0 CAO B:87U505 2.3 54.3 1.0 CE B:MET233 2.9 47.1 1.0 CG2 B:THR136 3.1 33.6 1.0 CAP B:87U505 3.5 55.9 1.0 CAQ B:87U505 3.5 55.9 1.0 NE2 B:GLN134 3.5 39.6 1.0 CE1 B:HIS6 3.8 40.6 1.0 ND1 B:HIS6 3.9 40.2 1.0 CBA B:87U505 4.0 55.4 1.0 CD B:GLN134 4.1 38.9 1.0 CG B:PHE20 4.2 41.2 1.0 CD2 B:PHE20 4.3 42.2 1.0 CG B:GLN134 4.4 37.8 1.0 CD1 B:PHE20 4.4 41.5 1.0 SD B:MET233 4.5 48.5 1.0 CG B:MET233 4.5 46.0 1.0 CB B:PHE20 4.6 40.9 1.0 CB B:THR136 4.6 33.8 1.0 CE2 B:PHE20 4.7 42.8 1.0 CE1 B:PHE20 4.7 41.9 1.0 CD1 B:PHE167 4.8 42.0 1.0 OE1 B:GLN134 4.8 39.4 1.0 CB B:MET233 4.8 44.2 1.0 CG B:PHE167 4.9 40.2 1.0 CZ B:PHE20 4.9 42.3 1.0 CB B:PHE167 4.9 37.5 1.0

Y.Chu, Y.Wang, J.Yang, W.Li. Synthesis, Biological Evaluation and X-Ray Structure of Anti-Microtubule Agents To Be Published.