Fluorine in PDB 7px6: PARP15 Catalytic Domain in Complex with OUL241

The structure of PARP15 Catalytic Domain in Complex with OUL241, PDB code: 7px6 was solved by M.M.Maksimainen, L.Lehtio, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.42 / 1.65
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.09, 68.42, 158.99, 90, 90, 90
R / Rfree (%)	18.4 / 19.7

The binding sites of Fluorine atom in the PARP15 Catalytic Domain in Complex with OUL241 (pdb code 7px6). 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 PARP15 Catalytic Domain in Complex with OUL241, PDB code: 7px6:

Fluorine binding site 1 out of 1 in the PARP15 Catalytic Domain in Complex with OUL241


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of PARP15 Catalytic Domain in Complex with OUL241 within 5.0Å range: probe atom residue distance (Å) B Occ A:F701 b:26.3 occ:1.00 F1 A:8D2701 0.0 26.3 1.0 C12 A:8D2701 1.4 23.9 1.0 C11 A:8D2701 2.3 23.7 1.0 C7 A:8D2701 2.4 21.6 1.0 C6 A:8D2701 2.8 20.3 1.0 O A:ALA583 3.2 28.9 1.0 CE1 A:TYR591 3.3 14.7 1.0 C A:ALA583 3.4 31.7 1.0 N A:SER585 3.4 21.5 1.0 C10 A:8D2701 3.6 24.1 1.0 C8 A:8D2701 3.6 22.4 1.0 CB A:ALA583 3.6 34.9 1.0 N A:VAL584 3.7 26.6 1.0 CZ A:TYR591 3.8 14.8 1.0 OG A:SER585 3.8 25.8 1.0 OH A:TYR591 3.9 15.4 1.0 CB A:SER585 3.9 22.5 1.0 CA A:VAL584 3.9 26.4 1.0 O3 A:8D2701 4.0 18.5 1.0 CD1 A:TYR591 4.0 13.8 1.0 C9 A:8D2701 4.1 23.6 1.0 C A:VAL584 4.1 24.0 1.0 CA A:ALA583 4.1 32.3 1.0 CA A:SER585 4.2 20.2 1.0 CD2 A:TYR586 4.3 17.0 1.0 N A:TYR586 4.4 14.6 1.0 CE2 A:TYR591 4.7 13.9 1.0 C A:SER585 4.8 16.6 1.0 CE2 A:TYR586 4.8 18.4 1.0 CG A:TYR591 4.9 13.8 1.0

M.G.Nizi, M.M.Maksimainen, S.Murthy, S.Massari, J.Alaviuhkola, B.E.Lippok, S.T.Sowa, A.Galera-Prat, R.Prunskaite-Hyyrylainen, B.Luscher, P.Korn, L.Lehtio, O.Tabarrini. Potent 2,3-Dihydrophthalazine-1,4-Dione Derivatives As Dual Inhibitors For Mono-Adp-Ribosyltransferases PARP10 and PARP15. Eur.J.Med.Chem. V. 237 14362 2022.
ISSN: ISSN 0223-5234
PubMed: 35500474
DOI: 10.1016/J.EJMECH.2022.114362