Fluorine in PDB 8el0: Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound

The structure of Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound, PDB code: 8el0 was solved by R.A.Judge, A.S.Judd, A.J.Souers, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.69 / 1.92
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	97.99, 136.943, 38.387, 90, 90, 90
R / Rfree (%)	19.3 / 22.4

The structure of Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound also contains other interesting chemical elements:

Chlorine

(Cl)

1 atom

The binding sites of Fluorine atom in the Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound (pdb code 8el0). 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 Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound, PDB code: 8el0:

Fluorine binding site 1 out of 1 in the Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Structure of Mbp-Mcl-1 in Complex with A Macrocyclic Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:F4000 b:56.1 occ:1.00 F A:WLW4000 0.0 56.1 1.0 C46 A:WLW4000 1.4 55.4 1.0 C47 A:WLW4000 2.3 54.7 1.0 C45 A:WLW4000 2.3 55.0 1.0 CD1 A:LEU235 2.8 87.8 1.0 CD2 A:LEU235 3.0 87.9 1.0 CG1 A:VAL249 3.3 65.8 1.0 CG A:LEU235 3.4 87.2 1.0 CB A:VAL249 3.6 65.2 1.0 C48 A:WLW4000 3.6 54.0 1.0 C44 A:WLW4000 3.6 54.1 1.0 SD A:MET231 4.0 69.7 1.0 C43 A:WLW4000 4.1 53.3 1.0 CD1 A:LEU246 4.2 76.3 1.0 CG2 A:VAL249 4.4 65.6 1.0 CG A:MET231 4.5 68.4 1.0 O A:LEU246 4.5 72.1 1.0 CE2 A:PHE270 4.7 42.8 1.0 CB A:LEU235 4.8 85.5 1.0 CA A:VAL249 4.8 64.6 1.0 C A:VAL249 4.8 64.1 1.0 N A:MET250 4.8 63.7 1.0

J.Yuda, C.Will, D.C.Phillips, L.Abraham, C.Alvey, A.Avigdor, W.Buck, L.Besenhofer, E.Boghaert, D.Cheng, D.Cojocari, K.Doyle, M.Hansen, K.Huang, E.F.Johnson, A.S.Judd, R.A.Judge, J.C.Kalvass, A.Kunzer, L.T.Lam, R.Li, R.L.Martin, A.Mastracchio, M.Mitten, A.Petrich, J.Wang, J.E.Ward, H.Zhang, X.Wang, J.E.Wolff, K.M.Bell-Mcguinn, A.J.Souers. Selective Mcl-1 Inhibitor Abbv-467 Is Efficacious in Tumor Models, Associated with Cardiac Troponin Increases in Patients To Be Published.