Bromine in PDB 5poc: Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N11081A

The structure of Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N11081A, PDB code: 5poc 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, J.Ng, P.E.Brennan, O.Cox, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Vondelft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.04 / 1.48
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.793, 56.083, 101.838, 90.00, 90.00, 90.00
R / Rfree (%)	18.2 / 20.8

The structure of Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N11081A also contains other interesting chemical elements:

Sodium

(Na)

1 atom

The binding sites of Bromine atom in the Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N11081A (pdb code 5poc). 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 BRD1 in Complex with N11081A, PDB code: 5poc:

Bromine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of BRD1 in Complex with N11081A


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 BRD1 in Complex with N11081A within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:23.9 occ:0.34 BR1 A:8TG203 0.0 23.9 0.3 C8 A:8TG203 1.9 23.0 0.8 C9 A:8TG203 2.8 22.0 0.8 C7 A:8TG203 2.9 21.1 0.8 O1 A:8TG203 2.9 32.4 0.8 N2 A:8TG203 3.3 31.8 0.8 O A:HOH380 3.6 29.6 1.0 CB A:GLU63 3.9 39.7 1.0 C10 A:8TG203 4.1 19.8 0.8 CG2 A:VAL64 4.2 23.1 1.0 C6 A:8TG203 4.2 22.4 0.8 C2 A:EDO201 4.3 22.4 0.1 CG A:GLU63 4.4 41.9 1.0 O2 A:8TG203 4.6 27.4 0.8 C5 A:8TG203 4.7 20.5 0.8 CZ A:PHE116 4.8 15.2 1.0 O1 A:EDO202 4.9 20.7 0.1 CE1 A:PHE116 5.0 15.7 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