Fluorine in PDB 6bxh: Menin in Complex with Mi-853

The structure of Menin in Complex with Mi-853, PDB code: 6bxh was solved by D.Borkin, S.Klossowski, J.Pollock, B.Linhares, T.Cierpicki, J.Grembecka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	47.90 / 2.45
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.034, 78.118, 121.326, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 25.5

The binding sites of Fluorine atom in the Menin in Complex with Mi-853 (pdb code 6bxh). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 4 binding sites of Fluorine where determined in the Menin in Complex with Mi-853, PDB code: 6bxh:
Jump to Fluorine binding site number: 1; 2; 3; 4;

Fluorine binding site 1 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Menin in Complex with Mi-853 within 5.0Å range: probe atom residue distance (Å) B Occ A:F603 b:33.7 occ:1.00 FAL A:EE7603 0.0 33.7 1.0 CAK A:EE7603 1.3 31.6 1.0 FAM A:EE7603 2.2 33.0 1.0 FAN A:EE7603 2.2 32.7 1.0 CAJ A:EE7603 2.3 28.9 1.0 CAH A:EE7603 2.8 26.7 1.0 CAG A:EE7603 3.3 21.6 1.0 S A:DMS601 3.6 45.6 0.8 O A:HOH765 3.8 48.8 1.0 OG A:SER155 3.8 34.3 1.0 CB A:SER155 3.9 33.1 1.0 SAI A:EE7603 3.9 24.7 1.0 O A:DMS601 3.9 53.4 0.8 C2 A:DMS601 4.1 41.8 0.8 O A:HOH727 4.1 43.4 1.0 C5 A:EE7603 4.4 31.5 1.0 C4 A:EE7603 4.7 29.4 1.0 C A:ASP180 4.7 28.6 1.0 CE2 A:PHE238 4.8 31.4 1.0 CA A:ASP180 4.8 30.5 1.0 N A:HIS181 4.9 25.1 1.0 O A:ASP180 4.9 25.6 1.0

Fluorine binding site 2 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Menin in Complex with Mi-853 within 5.0Å range: probe atom residue distance (Å) B Occ A:F603 b:33.0 occ:1.00 FAM A:EE7603 0.0 33.0 1.0 CAK A:EE7603 1.3 31.6 1.0 FAL A:EE7603 2.2 33.7 1.0 FAN A:EE7603 2.2 32.7 1.0 CAJ A:EE7603 2.3 28.9 1.0 CAH A:EE7603 2.9 26.7 1.0 SAI A:EE7603 3.1 24.7 1.0 CB A:SER155 3.4 33.1 1.0 CD2 A:LEU177 3.5 20.6 1.0 CE2 A:PHE238 3.5 31.4 1.0 OG A:SER155 4.0 34.3 1.0 O A:HIS181 4.0 29.8 1.0 CAG A:EE7603 4.0 21.6 1.0 CB A:ALA182 4.0 28.2 1.0 CZ A:PHE238 4.1 30.4 1.0 S A:DMS601 4.3 45.6 0.8 C A:HIS181 4.4 30.0 1.0 CD2 A:PHE238 4.5 30.9 1.0 C4 A:EE7603 4.5 29.4 1.0 C2 A:DMS601 4.7 41.8 0.8 CG A:LEU177 4.7 33.9 1.0 CA A:SER155 4.8 30.7 1.0 C5 A:EE7603 4.8 31.5 1.0 N A:ALA182 4.9 36.2 1.0 CB A:LEU177 4.9 28.9 1.0 O A:SER178 4.9 28.0 1.0 CA A:ALA182 4.9 36.2 1.0 N A:HIS181 4.9 25.1 1.0

Fluorine binding site 3 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Menin in Complex with Mi-853 within 5.0Å range: probe atom residue distance (Å) B Occ A:F603 b:32.7 occ:1.00 FAN A:EE7603 0.0 32.7 1.0 CAK A:EE7603 1.4 31.6 1.0 FAL A:EE7603 2.2 33.7 1.0 FAM A:EE7603 2.2 33.0 1.0 CAJ A:EE7603 2.4 28.9 1.0 N A:HIS181 3.1 25.1 1.0 C A:HIS181 3.2 30.0 1.0 O A:HIS181 3.2 29.8 1.0 CA A:HIS181 3.3 26.5 1.0 O A:HOH765 3.4 48.8 1.0 C A:ASP180 3.4 28.6 1.0 O A:ASP180 3.7 25.6 1.0 CAH A:EE7603 3.7 26.7 1.0 CB A:SER155 3.8 33.1 1.0 N A:ALA182 3.8 36.2 1.0 CB A:ALA182 4.1 28.2 1.0 CA A:ASP180 4.1 30.5 1.0 OG A:SER155 4.4 34.3 1.0 CA A:ALA182 4.5 36.2 1.0 N A:ASP180 4.5 29.5 1.0 CAG A:EE7603 4.6 21.6 1.0 SAI A:EE7603 4.7 24.7 1.0 O A:HOH727 4.8 43.4 1.0 CA A:SER155 4.8 30.7 1.0 CB A:HIS181 4.8 25.2 1.0 O A:SER178 5.0 28.0 1.0

Fluorine binding site 4 out of 4 in the Menin in Complex with Mi-853


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 4 of Menin in Complex with Mi-853 within 5.0Å range: probe atom residue distance (Å) B Occ A:F603 b:93.1 occ:1.00 FBT A:EE7603 0.0 93.1 1.0 CBR A:EE7603 1.4 83.1 1.0 CBQ A:EE7603 2.4 74.9 1.0 O A:GLY326 2.9 38.2 1.0 OBS A:EE7603 2.9 72.1 1.0 CA A:GLY326 3.1 29.3 1.0 CB A:CYS329 3.1 42.6 1.0 NBN A:EE7603 3.3 68.1 1.0 C A:GLY326 3.4 30.2 1.0 SG A:CYS329 3.5 42.7 1.0 CBO A:EE7603 3.6 61.4 1.0 CG A:ARG330 4.0 44.9 1.0 N A:ARG330 4.1 38.6 1.0 NH1 A:ARG330 4.2 42.5 1.0 CA A:CYS329 4.3 36.2 1.0 N A:GLY326 4.3 31.6 1.0 O A:ALA325 4.4 30.4 1.0 C A:CYS329 4.4 37.7 1.0 CBM A:EE7603 4.6 63.8 1.0 N A:CYS329 4.7 32.8 1.0 CBP A:EE7603 4.7 54.8 1.0 N A:TYR327 4.7 28.6 1.0 NBH A:EE7603 4.8 32.9 1.0 C A:ALA325 4.8 33.3 1.0 CD A:ARG330 4.9 47.0 1.0 CA A:ARG330 4.9 43.4 1.0 CB A:ARG330 4.9 44.3 1.0 CZ A:ARG330 5.0 46.5 1.0

D.Borkin, S.Klossowski, J.Pollock, B.Linhares, T.Cierpicki, J.Grembecka. Menin in Complex with Mi-853 To Be Published.