Bromine in PDB 4abl: Human PARP14 (ARTD8, BAL2) - Macro Domain 3

All present enzymatic activity of Human PARP14 (ARTD8, BAL2) - Macro Domain 3:
2.4.2.30;

The structure of Human PARP14 (ARTD8, BAL2) - Macro Domain 3, PDB code: 4abl was solved by T.Karlberg, M.Moche, A.G.Thorsell, C.H.Arrowsmith, C.Bountra, A.M.Edwards, T.Ekblad, J.Weigelt, H.Schuler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.79 / 1.15
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	33.705, 41.066, 108.918, 90.00, 90.00, 90.00
R / Rfree (%)	16.067 / 19.132

The binding sites of Bromine atom in the Human PARP14 (ARTD8, BAL2) - Macro Domain 3 (pdb code 4abl). 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 Human PARP14 (ARTD8, BAL2) - Macro Domain 3, PDB code: 4abl:

Bromine binding site 1 out of 1 in the Human PARP14 (ARTD8, BAL2) - Macro Domain 3


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Human PARP14 (ARTD8, BAL2) - Macro Domain 3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2389 b:30.0 occ:1.00 O A:HOH2154 3.1 17.6 1.0 O A:HOH2182 3.2 7.6 1.0 O A:HOH2183 3.3 11.1 1.0 N A:PHE1371 3.3 10.4 1.0 N A:ALA1330 3.3 7.6 1.0 CB A:ALA1330 3.8 8.8 1.0 CB A:PHE1371 3.9 10.1 1.0 CB A:PRO1329 3.9 7.5 1.0 CA A:ILE1370 3.9 9.6 1.0 CA A:ALA1330 4.1 8.8 1.0 C A:ILE1370 4.1 10.2 1.0 CA A:PRO1329 4.2 7.0 1.0 O A:VAL1369 4.3 9.7 1.0 C A:PRO1329 4.3 6.9 1.0 OG1 A:THR1333 4.3 12.2 1.0 CA A:PHE1371 4.3 10.8 1.0 CG2 A:VAL1258 4.3 14.3 1.0 CG2 A:ILE1370 4.4 11.6 1.0 O A:HOH2151 4.4 41.1 1.0 O A:ALA1330 4.4 9.3 1.0 C A:ALA1330 4.5 8.5 1.0 CB A:ILE1370 4.7 9.6 1.0 N A:ILE1370 4.9 9.1 1.0

A.H.Forst, T.Karlberg, N.Herzog, A.G.Thorsell, A.Gross, K.L.H.Feijs, P.Verheugd, P.Kursula, B.Nijmeijer, E.Kremmer, H.Kleine, A.G.Ladurner, H.Schuler, B.Luscher. Recognition of Mono-Adp-Ribosylated ARTD10 Substrates By ARTD8 Macrodomains Structure V. 21 462 2013.
ISSN: ISSN 0969-2126
PubMed: 23473667
DOI: 10.1016/J.STR.2012.12.019