Bromine in PDB 7luh: Burkholderia Pseudomallei Disulfide Bond Forming Protein A (Dsba) Liganded with Fragment Bromophenoxy Propanamide

The structure of Burkholderia Pseudomallei Disulfide Bond Forming Protein A (Dsba) Liganded with Fragment Bromophenoxy Propanamide, PDB code: 7luh was solved by G.A.Petit, J.L.Martin, R.M.Mcmahon, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.61 / 1.84
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	59.539, 62.941, 69.363, 90, 90, 90
R / Rfree (%)	16.5 / 19.4

The binding sites of Bromine atom in the Burkholderia Pseudomallei Disulfide Bond Forming Protein A (Dsba) Liganded with Fragment Bromophenoxy Propanamide (pdb code 7luh). 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 Burkholderia Pseudomallei Disulfide Bond Forming Protein A (Dsba) Liganded with Fragment Bromophenoxy Propanamide, PDB code: 7luh:

Bromine binding site 1 out of 1 in the Burkholderia Pseudomallei Disulfide Bond Forming Protein A (Dsba) Liganded with Fragment Bromophenoxy Propanamide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Burkholderia Pseudomallei Disulfide Bond Forming Protein A (Dsba) Liganded with Fragment Bromophenoxy Propanamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br201 b:43.0 occ:0.62 BR13 A:YCS201 0.0 43.0 0.6 C10 A:YCS201 1.9 44.8 0.6 C09 A:YCS201 2.8 44.2 0.6 C11 A:YCS201 2.8 43.0 0.6 H091 A:YCS201 2.9 53.1 0.6 H111 A:YCS201 2.9 51.7 0.6 HB3 A:TYR110 2.9 48.6 1.0 HZ2 A:TRP40 3.3 35.7 1.0 HE1 A:PHE77 3.3 42.3 1.0 HD23 A:LEU112 3.4 48.1 1.0 HE1 A:HIS80 3.4 35.0 1.0 CB A:TYR110 3.8 40.4 1.0 HH2 A:TRP40 3.8 38.3 1.0 CE1 A:PHE77 3.9 35.2 1.0 CZ2 A:TRP40 3.9 29.7 1.0 CG A:TYR110 4.0 47.7 1.0 HD11 A:LEU112 4.0 56.7 1.0 C08 A:YCS201 4.1 45.4 0.6 C12 A:YCS201 4.1 42.2 0.6 CD2 A:LEU112 4.2 40.1 1.0 CH2 A:TRP40 4.2 31.9 1.0 CD1 A:TYR110 4.3 46.3 1.0 HD1 A:TYR110 4.3 55.6 1.0 CE1 A:HIS80 4.3 29.1 1.0 HA3 A:GLY42 4.3 32.8 1.0 HB2 A:TYR110 4.3 48.6 1.0 HZ A:PHE77 4.4 45.2 1.0 HG A:LEU112 4.4 46.9 1.0 HD22 A:LEU112 4.4 48.1 1.0 CZ A:PHE77 4.5 37.6 1.0 HG23 A:ILE104 4.5 40.5 1.0 HG21 A:ILE104 4.5 40.5 1.0 CD2 A:TYR110 4.5 47.3 1.0 HA A:TYR110 4.6 47.7 1.0 C07 A:YCS201 4.6 45.2 0.6 CD1 A:PHE77 4.6 31.6 1.0 HD1 A:PHE77 4.7 37.9 1.0 O A:TYR110 4.7 35.7 1.0 CG A:LEU112 4.7 39.0 1.0 HD2 A:TYR110 4.8 56.9 1.0 CA A:TYR110 4.8 39.7 1.0 CD1 A:LEU112 4.8 47.2 1.0 H081 A:YCS201 4.8 54.5 0.6 H121 A:YCS201 4.8 50.7 0.6 HD21 A:LEU112 4.9 48.1 1.0 CG2 A:ILE104 5.0 33.7 1.0 HA2 A:GLY42 5.0 32.8 1.0

G.A.Petit, B.Mohanty, R.M.Mcmahon, S.Nebl, D.Hilko, K.Wilde, M.J.Scanlon, J.L.Martin, M.A.Halili. Identification and Characterization of Two Drug-Like Fragments That Bind to the Same Cryptic Binding Pocket of Burkholderia Pseudomallei Dsba Acta Crystallogr.,Sect.D 2021.
ISSN: ESSN 1399-0047
DOI: 10.1107/S2059798321011475