Bromine in PDB 5c0e: Hla-A02 Carrying Ylggpdfpti

The structure of Hla-A02 Carrying Ylggpdfpti, PDB code: 5c0e was solved by P.J.Rizkallah, A.M.Bulek, D.K.Cole, A.K.Sewell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.29 / 1.49
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	56.070, 79.740, 57.000, 90.00, 115.74, 90.00
R / Rfree (%)	15.6 / 17.9

The binding sites of Bromine atom in the Hla-A02 Carrying Ylggpdfpti (pdb code 5c0e). 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 Hla-A02 Carrying Ylggpdfpti, PDB code: 5c0e:

Bromine binding site 1 out of 1 in the Hla-A02 Carrying Ylggpdfpti


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Hla-A02 Carrying Ylggpdfpti within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:10.7 occ:1.00 O A:HOH579 3.5 28.5 1.0 N A:GLY16 3.5 13.5 1.0 CA A:ARG14 3.9 11.9 0.5 CA A:ARG14 3.9 11.5 0.5 CB A:ARG14 3.9 12.3 0.5 CB A:ARG14 3.9 11.6 0.5 C A:ARG14 3.9 12.6 0.5 CA A:GLY16 3.9 14.0 1.0 C A:ARG14 3.9 12.3 0.5 CD A:ARG14 4.1 11.7 0.5 N A:PRO15 4.1 12.9 1.0 CD A:PRO15 4.2 14.2 1.0 CG A:ARG14 4.2 12.7 0.5 N A:ARG17 4.3 12.6 1.0 O A:ARG14 4.3 13.8 0.5 O A:ARG14 4.4 13.4 0.5 CG A:ARG14 4.6 11.4 0.5 C A:GLY16 4.6 13.3 1.0 C A:PRO15 4.6 14.2 1.0 CG A:PRO15 4.8 15.7 1.0 O A:ARG17 4.9 11.7 1.0 CA A:PRO15 5.0 14.2 1.0 O A:HOH669 5.0 32.4 1.0

D.K.Cole, A.M.Bulek, G.Dolton, A.J.Schauenberg, B.Szomolay, W.Rittase, A.Trimby, P.Jothikumar, A.Fuller, A.Skowera, J.Rossjohn, C.Zhu, J.J.Miles, M.Peakman, L.Wooldridge, P.J.Rizkallah, A.K.Sewell. Hotspot Autoimmune T Cell Receptor Binding Underlies Pathogen and Insulin Peptide Cross-Reactivity. J.Clin.Invest. V. 126 2191 2016.
ISSN: ISSN 0021-9738
PubMed: 27183389
DOI: 10.1172/JCI85679