Bromine in PDB 7osp: PARP15 Catalytic Domain in Complex with OUL113

The structure of PARP15 Catalytic Domain in Complex with OUL113, PDB code: 7osp 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)	43.63 / 1.44
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.31, 68.55, 159.63, 90, 90, 90
R / Rfree (%)	16.1 / 19.3

The binding sites of Bromine atom in the PARP15 Catalytic Domain in Complex with OUL113 (pdb code 7osp). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total only one binding site of Bromine was determined in the PARP15 Catalytic Domain in Complex with OUL113, PDB code: 7osp:

Bromine binding site 1 out of 1 in the PARP15 Catalytic Domain in Complex with OUL113


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of PARP15 Catalytic Domain in Complex with OUL113 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br701 b:47.0 occ:1.00 BR A:0Q6701 0.0 47.0 1.0 CAL A:0Q6701 1.9 33.7 1.0 CAK A:0Q6701 2.9 34.7 1.0 CAN A:0Q6701 2.9 29.9 1.0 OH A:TYR598 3.5 46.9 1.0 CZ A:TYR598 4.0 31.3 1.0 CE2 A:TYR598 4.1 34.9 1.0 CAJ A:0Q6701 4.2 30.1 1.0 CAO A:0Q6701 4.2 33.1 1.0 CD2 A:LEU659 4.4 24.8 1.0 CAP A:0Q6701 4.7 33.6 1.0 CE1 A:TYR598 5.0 29.6 1.0

M.M.Maksimainen, S.Murthy, S.T.Sowa, A.Galera-Prat, E.Rolina, J.P.Heiskanen, L.Lehtio. Analogs of Tiq-A As Inhibitors of Human Mono-Adp-Ribosylating Parps. Bioorg.Med.Chem. V. 52 16511 2021.
ISSN: ESSN 1464-3391
PubMed: 34801828
DOI: 10.1016/J.BMC.2021.116511