Fluorine in PDB 6zg9: Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A

All present enzymatic activity of Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A:
3.2.1.17;

The structure of Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A, PDB code: 6zg9 was solved by P.Rucktooa, R.M.Cooke, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	33.97 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.363, 66.571, 153.102, 90, 90, 90
R / Rfree (%)	20.3 / 24.2

The binding sites of Fluorine atom in the Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A (pdb code 6zg9). 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 Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A, PDB code: 6zg9:

Fluorine binding site 1 out of 1 in the Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of M1-Star-T4L in Complex with GSK1034702 at 2.5A within 5.0Å range: probe atom residue distance (Å) B Occ A:F1201 b:25.8 occ:1.00 F1 A:QK21201 0.0 25.8 1.0 C5 A:QK21201 1.3 24.1 1.0 C4 A:QK21201 2.4 22.3 1.0 C6 A:QK21201 2.4 23.6 1.0 N1 A:QK21201 3.1 21.7 1.0 CB A:CYS178 3.4 34.5 1.0 CE3 A:TRP91 3.4 38.2 1.0 CZ3 A:TRP91 3.4 39.9 1.0 CD2 A:TYR85 3.5 30.0 1.0 CG A:TYR85 3.5 29.7 1.0 SG A:CYS178 3.6 39.1 1.0 C3 A:QK21201 3.6 16.2 1.0 C1 A:QK21201 3.7 23.7 1.0 O A:CYS178 3.9 34.2 1.0 CE2 A:TYR85 3.9 30.2 1.0 CB A:TYR85 3.9 29.1 1.0 CD1 A:TYR85 4.1 31.5 1.0 C2 A:QK21201 4.2 19.0 1.0 CD2 A:TRP91 4.3 37.1 1.0 CH2 A:TRP91 4.3 40.7 1.0 C7 A:QK21201 4.4 22.7 1.0 CZ A:TYR85 4.4 35.5 1.0 C A:CYS178 4.5 33.6 1.0 CA A:CYS178 4.5 33.3 1.0 CE1 A:TYR85 4.5 31.6 1.0 N2 A:QK21201 4.7 25.2 1.0 CD1 A:TYR82 4.8 32.5 1.0 C18 A:QK21201 4.9 9.8 1.0

P.Rucktooa, R.M.Cooke. From Structure to Clinic: the Discovery of Selective M1 Muscarinic Acetylcholine Receptor Agonist For the Treatment of Memory Loss in Alzheimer'S Disease To Be Published.