Fluorine in PDB 6pkc: Inhibition of Human Menin By Vtp-50469

The structure of Inhibition of Human Menin By Vtp-50469, PDB code: 6pkc was solved by B.M.Mckeever, G.Chen, R.Van Orton, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.65 / 1.90
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	58.970, 86.080, 202.040, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 20.6

The binding sites of Fluorine atom in the Inhibition of Human Menin By Vtp-50469 (pdb code 6pkc). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 2 binding sites of Fluorine where determined in the Inhibition of Human Menin By Vtp-50469, PDB code: 6pkc:
Jump to Fluorine binding site number: 1; 2;

Fluorine binding site 1 out of 2 in the Inhibition of Human Menin By Vtp-50469


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Inhibition of Human Menin By Vtp-50469 within 5.0Å range: probe atom residue distance (Å) B Occ A:F601 b:17.8 occ:1.00 F A:OP4601 0.0 17.8 1.0 C30 A:OP4601 1.3 18.6 1.0 C31 A:OP4601 2.4 19.1 1.0 C29 A:OP4601 2.4 16.2 1.0 C A:HIS181 3.1 17.7 1.0 CB A:SER155 3.2 22.3 1.0 N A:ALA182 3.3 17.0 1.0 O A:HIS181 3.4 16.8 1.0 CA A:HIS181 3.4 16.7 1.0 CB A:ALA182 3.4 18.0 1.0 N A:HIS181 3.6 16.3 1.0 C7 A:OP4601 3.6 16.7 1.0 C28 A:OP4601 3.6 15.8 1.0 O A:HOH941 3.7 32.5 1.0 CA A:ALA182 3.9 17.3 1.0 OG A:SER155 3.9 19.5 1.0 C A:ASP180 4.1 17.6 1.0 C8 A:OP4601 4.1 17.4 1.0 O A:HOH731 4.1 28.4 1.0 CD2 A:LEU177 4.3 31.2 1.0 O A:ASP180 4.4 18.7 1.0 CA A:SER155 4.4 18.2 1.0 O A:HOH861 4.7 32.5 1.0 O A:HOH937 4.8 26.8 1.0 C6 A:OP4601 4.9 21.4 1.0 CB A:HIS181 4.9 18.2 1.0 CE1 A:PHE238 4.9 20.8 1.0 N A:SER155 5.0 17.5 1.0

Fluorine binding site 2 out of 2 in the Inhibition of Human Menin By Vtp-50469


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Inhibition of Human Menin By Vtp-50469 within 5.0Å range: probe atom residue distance (Å) B Occ B:F601 b:17.1 occ:1.00 F B:OP4601 0.0 17.1 1.0 C30 B:OP4601 1.4 15.7 1.0 C29 B:OP4601 2.4 14.3 1.0 C31 B:OP4601 2.4 15.2 1.0 C B:HIS181 3.2 14.5 1.0 CB B:SER155 3.2 16.8 1.0 N B:ALA182 3.4 14.8 1.0 CA B:HIS181 3.4 13.7 1.0 O B:HIS181 3.4 13.7 1.0 CB B:ALA182 3.4 15.7 1.0 N B:HIS181 3.5 13.4 1.0 O B:HOH931 3.6 21.4 1.0 C7 B:OP4601 3.6 14.6 1.0 C28 B:OP4601 3.7 14.5 1.0 O B:HOH747 3.7 30.0 1.0 OG B:SER155 3.9 16.1 1.0 C B:ASP180 3.9 17.2 1.0 CA B:ALA182 3.9 16.2 1.0 C8 B:OP4601 4.1 15.0 1.0 O B:ASP180 4.1 15.3 1.0 CA B:SER155 4.3 16.6 1.0 CD2 B:LEU177 4.4 26.4 1.0 O B:HOH804 4.5 20.9 1.0 O B:HOH810 4.7 23.3 1.0 CA B:ASP180 4.8 15.7 1.0 N B:SER155 4.9 15.3 1.0 CB B:HIS181 4.9 13.0 1.0 C6 B:OP4601 4.9 18.8 1.0 CE1 B:PHE238 4.9 19.5 1.0

A.V.Krivtsov, K.Evans, J.Y.Gadrey, B.K.Eschle, C.Hatton, H.J.Uckelmann, K.N.Ross, F.Perner, S.N.Olsen, T.Pritchard, L.Mcdermott, C.D.Jones, D.Jing, A.Braytee, D.Chacon, E.Earley, B.M.Mckeever, D.Claremon, A.J.Gifford, H.J.Lee, B.A.Teicher, J.E.Pimanda, D.Beck, J.A.Perry, M.A.Smith, G.M.Mcgeehan, R.B.Lock, S.A.Armstrong. A Menin-Mll Inhibitor Induces Specific Chromatin Changes and Eradicates Disease in Models of Mll-Rearranged Leukemia. Cancer Cell V. 36 660 2019.
ISSN: ISSN 1535-6108
PubMed: 31821784
DOI: 10.1016/J.CCELL.2019.11.001