Bromine in PDB 5swa: Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC

The structure of Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC, PDB code: 5swa was solved by M.Robb, A.B.Boraston, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	107.86 / 3.00
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	39.990, 50.470, 107.890, 89.17, 89.02, 88.90
R / Rfree (%)	22.7 / 28.1

The binding sites of Bromine atom in the Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC (pdb code 5swa). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC, PDB code: 5swa:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC within 5.0Å range: probe atom residue distance (Å) B Occ A:Br503 b:86.5 occ:1.00 CB A:ARG243 3.6 26.6 1.0 CG A:ARG243 3.6 26.4 1.0 CD A:PRO242 3.7 25.4 1.0 N A:ARG243 3.7 26.7 1.0 NH1 A:ARG243 3.9 26.1 1.0 CD A:ARG243 3.9 26.4 1.0 CG1 A:VAL241 4.0 24.1 1.0 N A:PRO242 4.2 25.2 1.0 CA A:ARG243 4.3 26.9 1.0 CG A:PRO242 4.3 25.5 1.0 CB A:PRO242 4.3 25.8 1.0 C A:PRO242 4.5 26.5 1.0 CA A:PRO242 4.6 25.8 1.0 CZ A:ARG243 4.8 26.3 1.0 C A:VAL241 4.8 24.9 1.0 NE A:ARG243 4.8 26.3 1.0 OD2 A:ASP227 5.0 30.4 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of N-Glycan Transport Solute Binding Protein (Ngts) From Streptococcus Pneumoniae in Complex with MAN1GLCNAC within 5.0Å range: probe atom residue distance (Å) B Occ B:Br503 b:44.2 occ:1.00 CD B:ARG243 3.4 20.9 1.0 NE B:ARG243 3.5 20.8 1.0 CG B:ARG243 3.5 20.9 1.0 N B:ARG243 3.6 21.4 1.0 CG A:LYS253 3.7 25.7 1.0 CB B:ARG243 3.7 21.1 1.0 CG1 B:VAL241 3.8 21.3 1.0 CD B:PRO242 3.9 21.4 1.0 CD A:LYS253 4.0 26.1 1.0 OE1 A:GLU256 4.2 32.4 1.0 N B:PRO242 4.3 21.6 1.0 CA B:ARG243 4.3 21.2 1.0 CB B:PRO242 4.3 21.8 1.0 CG B:PRO242 4.4 21.5 1.0 C B:PRO242 4.6 21.8 1.0 CA B:PRO242 4.6 21.7 1.0 CZ B:ARG243 4.7 20.8 1.0 CE A:LYS253 4.8 26.6 1.0 C B:VAL241 4.8 21.7 1.0

M.Robb, J.K.Hobbs, S.A.Woodiga, S.Shapiro-Ward, M.D.Suits, N.Mcgregor, H.Brumer, H.Yesilkaya, S.J.King, A.B.Boraston. Molecular Characterization of N-Glycan Degradation and Transport in Streptococcus Pneumoniae and Its Contribution to Virulence. Plos Pathog. V. 13 06090 2017.
ISSN: ESSN 1553-7374
PubMed: 28056108
DOI: 10.1371/JOURNAL.PPAT.1006090