Fluorine in PDB 4og6: Human Menin with Bound Inhibitor Miv-4

The structure of Human Menin with Bound Inhibitor Miv-4, PDB code: 4og6 was solved by S.He, T.J.Senter, J.W.Pollock, C.Han, S.K.Upadhyay, T.Purohit, R.D.Gogliotti, C.W.Lindsley, T.Cierpicki, S.R.Stauffer, J.Grembecka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.02 / 1.49
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	48.568, 79.865, 124.464, 90.00, 90.00, 90.00
R / Rfree (%)	16.1 / 18.8

The binding sites of Fluorine atom in the Human Menin with Bound Inhibitor Miv-4 (pdb code 4og6). 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 Human Menin with Bound Inhibitor Miv-4, PDB code: 4og6:

Fluorine binding site 1 out of 1 in the Human Menin with Bound Inhibitor Miv-4


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Menin with Bound Inhibitor Miv-4 within 5.0Å range: probe atom residue distance (Å) B Occ A:F602 b:19.4 occ:1.00 FAC A:2S9602 0.0 19.4 1.0 CAY A:2S9602 1.4 11.9 1.0 CAF A:2S9602 2.4 13.1 1.0 CAL A:2S9602 2.4 9.5 1.0 CA A:HIS181 3.2 10.9 1.0 N A:HIS181 3.2 10.9 1.0 C A:HIS181 3.2 10.8 1.0 O A:HOH1146 3.3 31.4 1.0 C A:ASP180 3.5 11.3 1.0 CB A:SER155 3.6 10.9 1.0 O A:HIS181 3.6 10.7 1.0 O A:HOH742 3.6 22.1 1.0 CAE A:2S9602 3.6 13.7 1.0 N A:ALA182 3.7 10.9 1.0 CBB A:2S9602 3.7 9.7 1.0 O A:ASP180 3.8 12.7 1.0 O A:HOH1147 4.0 33.7 1.0 OG A:SER155 4.1 11.0 1.0 CB A:ALA182 4.2 10.8 1.0 CAI A:2S9602 4.2 12.4 1.0 O A:HOH1073 4.3 19.3 1.0 CA A:ASP180 4.3 11.6 1.0 CA A:ALA182 4.5 10.8 1.0 CA A:SER155 4.6 11.1 1.0 CB A:HIS181 4.6 11.1 1.0 O A:HOH1048 4.8 29.1 1.0 N A:ASP180 4.9 11.1 1.0 OAB A:2S9602 4.9 13.4 1.0 CBF A:2S9602 4.9 10.6 1.0 N A:SER155 5.0 11.3 1.0

S.He, T.J.Senter, J.Pollock, C.Han, S.K.Upadhyay, T.Purohit, R.D.Gogliotti, C.W.Lindsley, T.Cierpicki, S.R.Stauffer, J.Grembecka. High-Affinity Small-Molecule Inhibitors of the Menin-Mixed Lineage Leukemia (Mll) Interaction Closely Mimic A Natural Protein-Protein Interaction. J.Med.Chem. V. 57 1543 2014.
ISSN: ISSN 0022-2623
PubMed: 24472025
DOI: 10.1021/JM401868D