Fluorine in PDB 6qxk: Human PIM1 Bound to OX0999

All present enzymatic activity of Human PIM1 Bound to OX0999:
2.7.11.1;

The structure of Human PIM1 Bound to OX0999, PDB code: 6qxk was solved by L.T.Alexander, J.M.Elkins, A.Russell, C.Bountra, A.M.Edwards, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.77 / 2.10
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	97.889, 97.889, 80.370, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 20.1

The binding sites of Fluorine atom in the Human PIM1 Bound to OX0999 (pdb code 6qxk). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Human PIM1 Bound to OX0999, PDB code: 6qxk:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Human PIM1 Bound to OX0999


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human PIM1 Bound to OX0999 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:62.8 occ:1.00 F1 B:JKW401 0.0 62.8 1.0 C14 B:JKW401 1.3 62.6 1.0 F2 B:JKW401 2.1 64.0 1.0 F3 B:JKW401 2.1 62.1 1.0 O1 B:JKW401 2.2 56.3 1.0 C11 B:JKW401 2.7 48.6 1.0 O B:HOH504 3.1 35.4 1.0 C10 B:JKW401 3.4 47.2 1.0 C12 B:JKW401 3.5 45.1 1.0 N B:ASP128 3.9 33.7 1.0 CA B:GLN127 4.0 36.7 1.0 O B:VAL126 4.0 39.9 1.0 CG1 B:VAL126 4.0 40.0 1.0 C B:GLN127 4.3 34.5 1.0 C B:VAL126 4.4 39.3 1.0 C9 B:JKW401 4.5 44.9 1.0 N B:GLN127 4.5 37.5 1.0 C13 B:JKW401 4.5 44.4 1.0 CD2 B:LEU174 4.6 34.7 1.0 CB B:ASP128 4.8 34.6 1.0 CA B:ASP128 4.9 33.3 1.0 CG2 B:VAL126 5.0 37.9 1.0 CB B:VAL126 5.0 39.2 1.0 C8 B:JKW401 5.0 41.5 1.0

Fluorine binding site 2 out of 3 in the Human PIM1 Bound to OX0999


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Human PIM1 Bound to OX0999 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:64.0 occ:1.00 F2 B:JKW401 0.0 64.0 1.0 C14 B:JKW401 1.3 62.6 1.0 F3 B:JKW401 2.1 62.1 1.0 F1 B:JKW401 2.1 62.8 1.0 O1 B:JKW401 2.2 56.3 1.0 C11 B:JKW401 3.5 48.6 1.0 O B:HOH504 3.6 35.4 1.0 C12 B:JKW401 4.3 45.1 1.0 C10 B:JKW401 4.4 47.2 1.0 O B:VAL126 4.6 39.9 1.0

Fluorine binding site 3 out of 3 in the Human PIM1 Bound to OX0999


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Human PIM1 Bound to OX0999 within 5.0Å range: probe atom residue distance (Å) B Occ B:F401 b:62.1 occ:1.00 F3 B:JKW401 0.0 62.1 1.0 C14 B:JKW401 1.3 62.6 1.0 F2 B:JKW401 2.1 64.0 1.0 F1 B:JKW401 2.1 62.8 1.0 O1 B:JKW401 2.2 56.3 1.0 C11 B:JKW401 2.9 48.6 1.0 C12 B:JKW401 3.0 45.1 1.0 CG1 B:VAL126 3.2 40.0 1.0 O B:VAL126 3.4 39.9 1.0 O B:HOH519 4.1 53.4 1.0 C B:VAL126 4.2 39.3 1.0 C10 B:JKW401 4.2 47.2 1.0 C13 B:JKW401 4.3 44.4 1.0 CB B:VAL126 4.5 39.2 1.0 O B:HOH504 4.8 35.4 1.0 CA B:VAL126 4.8 40.0 1.0 CA B:GLN127 4.9 36.7 1.0 N B:GLN127 4.9 37.5 1.0 O B:HOH514 4.9 43.8 1.0

S.Knapp, J.M.Elkins, L.T.Alexander, A.Russell. PIM1 Bound to OX0999 To Be Published.