Fluorine in PDB 6ltk: HSP90 in Complex with Snx-2112

The structure of HSP90 in Complex with Snx-2112, PDB code: 6ltk was solved by H.L.Cao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	36.24 / 2.14
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	69.7, 88.868, 96.55, 90, 90, 90
R / Rfree (%)	19.1 / 22.3

The binding sites of Fluorine atom in the HSP90 in Complex with Snx-2112 (pdb code 6ltk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the HSP90 in Complex with Snx-2112, PDB code: 6ltk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the HSP90 in Complex with Snx-2112


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of HSP90 in Complex with Snx-2112 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:49.3 occ:1.00 F1 A:E0G301 0.0 49.3 1.0 C23 A:E0G301 1.4 48.7 1.0 F3 A:E0G301 2.2 49.4 1.0 F2 A:E0G301 2.2 54.5 1.0 C14 A:E0G301 2.4 45.7 1.0 O1 A:E0G301 3.0 48.0 1.0 C15 A:E0G301 3.1 40.5 1.0 O A:LEU107 3.2 56.0 1.0 C20 A:E0G301 3.4 52.1 1.0 N4 A:E0G301 3.4 43.6 1.0 CB A:ALA111 3.5 55.6 1.0 C A:LEU107 3.7 55.3 1.0 CB A:LEU107 3.7 47.8 1.0 CA A:LEU107 4.2 51.8 1.0 C16 A:E0G301 4.3 42.7 1.0 N A:GLY108 4.4 47.1 1.0 N3 A:E0G301 4.4 48.4 1.0 CA A:ALA111 4.5 72.0 1.0 O A:GLY135 4.6 52.2 1.0 N A:ALA111 4.7 61.4 1.0 CG A:LEU107 4.7 50.0 1.0 CE2 A:TYR139 4.8 46.0 1.0 CD2 A:LEU107 4.8 46.2 1.0 CA A:GLY108 4.8 59.0 1.0 C19 A:E0G301 4.9 42.9 1.0 CD1 A:LEU107 4.9 51.1 1.0 O A:HOH441 4.9 45.7 1.0

Fluorine binding site 2 out of 3 in the HSP90 in Complex with Snx-2112


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of HSP90 in Complex with Snx-2112 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:54.5 occ:1.00 F2 A:E0G301 0.0 54.5 1.0 C23 A:E0G301 1.4 48.7 1.0 F3 A:E0G301 2.2 49.4 1.0 F1 A:E0G301 2.2 49.3 1.0 C14 A:E0G301 2.4 45.7 1.0 C15 A:E0G301 3.1 40.5 1.0 O1 A:E0G301 3.1 48.0 1.0 CE2 A:TYR139 3.4 46.0 1.0 N4 A:E0G301 3.4 43.6 1.0 C20 A:E0G301 3.5 52.1 1.0 O A:HOH441 3.6 45.7 1.0 CD2 A:TYR139 3.7 44.8 1.0 CA A:VAL136 3.8 49.1 1.0 O A:GLY135 3.8 52.2 1.0 CB A:ALA111 4.0 55.6 1.0 CG1 A:VAL136 4.1 53.0 1.0 CB A:VAL136 4.2 51.4 1.0 C16 A:E0G301 4.3 42.7 1.0 CB A:PHE138 4.4 41.8 1.0 C A:VAL136 4.4 43.5 1.0 N3 A:E0G301 4.4 48.4 1.0 CZ A:TYR139 4.5 47.6 1.0 C A:GLY135 4.7 55.5 1.0 O A:VAL136 4.7 46.9 1.0 N A:VAL136 4.7 48.3 1.0 OH A:TYR139 4.9 53.2 1.0 C19 A:E0G301 4.9 42.9 1.0 N A:PHE138 5.0 42.1 1.0

Fluorine binding site 3 out of 3 in the HSP90 in Complex with Snx-2112


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of HSP90 in Complex with Snx-2112 within 5.0Å range: probe atom residue distance (Å) B Occ A:F301 b:49.4 occ:1.00 F3 A:E0G301 0.0 49.4 1.0 C23 A:E0G301 1.4 48.7 1.0 F1 A:E0G301 2.2 49.3 1.0 F2 A:E0G301 2.2 54.5 1.0 C14 A:E0G301 2.4 45.7 1.0 O A:GLY135 2.7 52.2 1.0 N4 A:E0G301 2.7 43.6 1.0 O A:HOH441 3.0 45.7 1.0 C15 A:E0G301 3.7 40.5 1.0 C A:GLY135 3.9 55.5 1.0 O A:HOH447 4.0 60.0 1.0 N3 A:E0G301 4.1 48.4 1.0 CA A:VAL136 4.3 49.1 1.0 C16 A:E0G301 4.6 42.7 1.0 N A:VAL136 4.6 48.3 1.0 O1 A:E0G301 4.6 48.0 1.0 CB A:ALA111 4.6 55.6 1.0 C20 A:E0G301 4.7 52.1 1.0 CG1 A:VAL136 4.8 53.0 1.0 O A:LEU107 4.9 56.0 1.0

H.L.Cao, H.L.Cao. N/A N/A.