Bromine in PDB 7otf: PARP15 Catalytic Domain in Complex with OUL213

The structure of PARP15 Catalytic Domain in Complex with OUL213, PDB code: 7otf 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)	43.61 / 1.30
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	45.31, 68.63, 158.65, 90, 90, 90
R / Rfree (%)	14.8 / 17.3

The binding sites of Bromine atom in the PARP15 Catalytic Domain in Complex with OUL213 (pdb code 7otf). 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 OUL213, PDB code: 7otf:

Bromine binding site 1 out of 1 in the PARP15 Catalytic Domain in Complex with OUL213


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 OUL213 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br701 b:34.3 occ:1.00 BR1 A:1H9701 0.0 34.3 1.0 CAB A:1H9701 1.9 25.1 1.0 CAW A:1H9701 2.8 23.6 1.0 CAC A:1H9701 2.9 25.2 1.0 OH A:TYR598 3.0 41.1 1.0 CZ A:TYR598 3.8 25.8 1.0 CE1 A:TYR598 4.1 26.1 1.0 CAD A:1H9701 4.2 28.9 1.0 CAF A:1H9701 4.2 23.9 1.0 CD2 A:LEU659 4.6 20.6 1.0 CAE A:1H9701 4.7 25.3 1.0 CE2 A:TYR598 4.7 24.2 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