Bromine in PDB 5ph5: Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A, PDB code: 5ph5 was solved by N.M.Pearce, T.Krojer, R.Talon, A.R.Bradley, M.Fairhead, R.Sethi, N.Wright, E.Maclean, P.Collins, J.Brandao-Neto, A.Douangamath, Z.Renjie, A.Dias, M.Vollmar, J.Ng, A.Szykowska, N.Burgess-Brown, P.E.Brennan, O.Cox, U.Oppermann, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.38 / 1.35
Space group	P 43 21 2
Cell size a, b, c (Å), α, β, γ (°)	71.389, 71.389, 150.006, 90.00, 90.00, 90.00
R / Rfree (%)	12.9 / 16.5

The structure of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A also contains other interesting chemical elements:

Nickel	(Ni)	1 atom
Zinc	(Zn)	1 atom

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A (pdb code 5ph5). 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 Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A, PDB code: 5ph5:

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of JMJD2D in Complex with N09724A within 5.0Å range: probe atom residue distance (Å) B Occ A:Br415 b:14.3 occ:0.45 BR01 A:ES3415 0.0 14.3 0.5 O A:HOH821 0.7 40.2 0.5 O A:HOH533 1.8 49.1 0.5 C02 A:ES3415 1.9 12.4 0.5 O A:HOH767 2.4 20.6 0.5 C03 A:ES3415 2.9 12.4 0.5 N06 A:ES3415 2.9 13.8 0.5 NH2 A:ARG228 3.6 19.6 0.8 CE1 A:PHE241 3.7 21.2 1.0 NE A:ARG228 3.7 17.7 0.8 CZ A:ARG228 3.7 18.4 0.8 CD1 A:PHE241 3.8 19.9 1.0 CG A:ARG228 4.0 16.1 0.8 CG A:ARG228 4.0 15.8 0.2 C05 A:ES3415 4.0 12.1 0.5 N04 A:ES3415 4.0 12.9 0.5 O A:GLU224 4.1 13.1 1.0 O A:GLY239 4.1 22.4 1.0 CB A:GLU224 4.1 12.8 1.0 CG A:LEU242 4.1 13.0 1.0 O A:HOH618 4.1 23.2 1.0 CD1 A:LEU242 4.3 14.2 1.0 N A:PHE241 4.3 15.3 1.0 CG A:GLU224 4.3 12.1 1.0 CA A:GLU224 4.3 12.0 1.0 O A:HOH789 4.4 42.8 0.5 CD A:ARG228 4.5 18.4 0.8 N A:LEU242 4.5 13.0 1.0 NH1 A:ARG228 4.5 18.4 0.8 CZ A:PHE241 4.5 19.7 1.0 C A:GLU224 4.6 12.3 1.0 CD A:ARG228 4.6 16.6 0.2 CA A:ALA240 4.6 16.9 1.0 O A:HOH812 4.6 35.1 0.5 CG A:PHE241 4.7 16.9 1.0 C A:ALA240 4.7 16.0 1.0 NH1 A:ARG228 4.7 17.5 0.2 C A:GLY239 4.8 20.5 1.0 CB A:LEU242 4.8 13.5 1.0 CB A:ALA227 4.9 12.7 1.0 CD A:GLU224 5.0 13.6 1.0

N.M.Pearce, T.Krojer, A.R.Bradley, P.Collins, R.P.Nowak, R.Talon, B.D.Marsden, S.Kelm, J.Shi, C.M.Deane, F.Von Delft. A Multi-Crystal Method For Extracting Obscured Crystallographic States From Conventionally Uninterpretable Electron Density. Nat Commun V. 8 15123 2017.
ISSN: ESSN 2041-1723
PubMed: 28436492
DOI: 10.1038/NCOMMS15123