Fluorine in PDB 5k0m: Targeting the PRC2 Complex Through A Novel Protein-Protein Interaction Inhibitor of Eed

The structure of Targeting the PRC2 Complex Through A Novel Protein-Protein Interaction Inhibitor of Eed, PDB code: 5k0m was solved by C.G.Jakob, L.J.Bigelow, H.Zhu, C.Sun, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.91 / 1.83
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	57.843, 84.911, 91.627, 90.00, 90.00, 90.00
R / Rfree (%)	13.3 / 18.5

The binding sites of Fluorine atom in the Targeting the PRC2 Complex Through A Novel Protein-Protein Interaction Inhibitor of Eed (pdb code 5k0m). 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 Targeting the PRC2 Complex Through A Novel Protein-Protein Interaction Inhibitor of Eed, PDB code: 5k0m:

Fluorine binding site 1 out of 1 in the Targeting the PRC2 Complex Through A Novel Protein-Protein Interaction Inhibitor of Eed


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Targeting the PRC2 Complex Through A Novel Protein-Protein Interaction Inhibitor of Eed within 5.0Å range: probe atom residue distance (Å) B Occ A:F501 b:23.7 occ:1.00 F A:6PU501 0.0 23.7 1.0 C24 A:6PU501 1.3 17.4 1.0 C23 A:6PU501 2.3 15.2 1.0 C25 A:6PU501 2.3 16.7 1.0 C3 A:6PU501 3.0 17.7 1.0 C17 A:6PU501 3.1 17.9 1.0 CB A:ASN194 3.4 14.8 1.0 CD2 A:LEU240 3.4 16.9 1.0 O A:LEU240 3.5 15.5 1.0 N1 A:6PU501 3.5 18.7 1.0 C22 A:6PU501 3.6 14.9 1.0 C20 A:6PU501 3.6 15.8 1.0 NH2 A:ARG367 3.6 32.4 1.0 CG A:ASN194 3.7 14.9 1.0 CB A:LEU240 3.8 16.9 1.0 CA A:LEU240 3.8 15.9 1.0 C21 A:6PU501 4.1 15.6 1.0 C A:LEU240 4.1 15.8 1.0 OD1 A:ASN194 4.1 16.3 1.0 CG A:LEU240 4.2 17.4 1.0 O A:ASN194 4.3 14.6 1.0 ND2 A:ASN194 4.3 17.0 1.0 C18 A:6PU501 4.4 17.7 1.0 CA A:ASN194 4.4 14.9 1.0 CZ A:ARG367 4.4 26.8 1.0 CD1 A:TYR365 4.5 17.7 1.0 C2 A:6PU501 4.5 19.0 1.0 C A:ASN194 4.6 15.4 1.0 C1 A:6PU501 4.7 19.0 1.0 C19 A:6PU501 4.7 17.1 1.0 C4 A:6PU501 4.7 18.2 1.0 NH1 A:ARG367 4.8 29.2 1.0 CD1 A:LEU240 4.9 17.3 1.0

Y.He, S.Selvaraju, M.L.Curtin, C.G.Jakob, H.Zhu, K.M.Comess, B.Shaw, J.The, E.Lima-Fernandes, M.M.Szewczyk, D.Cheng, K.L.Klinge, H.Q.Li, M.Pliushchev, M.A.Algire, D.Maag, J.Guo, J.Dietrich, S.C.Panchal, A.M.Petros, R.F.Sweis, M.Torrent, L.J.Bigelow, G.Senisterra, F.Li, S.Kennedy, Q.Wu, D.J.Osterling, D.J.Lindley, W.Gao, S.Galasinski, D.Barsyte-Lovejoy, M.Vedadi, F.G.Buchanan, C.H.Arrowsmith, G.G.Chiang, C.Sun, W.N.Pappano. The Eed Protein-Protein Interaction Inhibitor A-395 Inactivates the PRC2 Complex. Nat. Chem. Biol. V. 13 389 2017.
ISSN: ESSN 1552-4469
PubMed: 28135237
DOI: 10.1038/NCHEMBIO.2306