Bromine in PDB 2vpm: Trypanothione Synthetase

All present enzymatic activity of Trypanothione Synthetase:
6.3.1.9;

The structure of Trypanothione Synthetase, PDB code: 2vpm was solved by P.K.Fyfe, S.L.Oza, A.H.Fairlamb, W.N.Hunter, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	84.82 / 2.8
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.522, 167.082, 84.921, 90.00, 94.11, 90.00
R / Rfree (%)	20.3 / 25.3

The structure of Trypanothione Synthetase also contains other interesting chemical elements:

Chlorine

(Cl)

8 atoms

The binding sites of Bromine atom in the Trypanothione Synthetase (pdb code 2vpm). 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 Trypanothione Synthetase, PDB code: 2vpm:

Bromine binding site 1 out of 1 in the Trypanothione Synthetase


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Trypanothione Synthetase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1642 b:70.8 occ:1.00 NH2 A:ARG197 3.5 55.4 1.0 CD A:PRO202 3.9 49.5 1.0 CB A:ALA201 4.6 50.8 1.0 CG A:PRO202 4.7 49.4 1.0 CZ A:ARG197 4.7 56.3 1.0

P.K.Fyfe, S.L.Oza, A.H.Fairlamb, W.N.Hunter. Leishmania Trypanothione Synthetase-Amidase Structure Reveals A Basis For Regulation of Conflicting Synthetic and Hydrolytic Activities. J.Biol.Chem. V. 283 17672 2008.
ISSN: ISSN 0021-9258
PubMed: 18420578
DOI: 10.1074/JBC.M801850200