Bromine in PDB 5l4h: X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate)

The structure of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate), PDB code: 5l4h was solved by Z.Fourati, R.R.Ruza, M.Delarue, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.00 / 3.30
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	177.145, 127.942, 159.700, 90.00, 101.03, 90.00
R / Rfree (%)	21.4 / 23.5

The structure of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate) also contains other interesting chemical elements:

Chlorine

(Cl)

5 atoms

The binding sites of Bromine atom in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate) (pdb code 5l4h). 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 X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate), PDB code: 5l4h:

Bromine binding site 1 out of 1 in the X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate)


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of X-Ray Structure of the 2-22' Locally-Closed Mutant of Glic in Complex with 5-(2-Bromo-Ethyl)-5-Ethyl-Pyrimidine-2,4,6-Trione (Brominated Barbiturate) within 5.0Å range: probe atom residue distance (Å) B Occ E:Br402 b:0.0 occ:0.26 BR E:6JW402 0.0 0.0 0.3 C4 E:6JW402 2.0 0.5 1.0 C1 D:LMT401 2.4 56.4 1.0 C3 E:6JW402 3.1 0.3 1.0 CG2 C:ILE233 3.5 59.5 1.0 C2 D:LMT401 3.5 61.0 1.0 O E:6JW402 3.6 0.6 1.0 CG2 B:ILE233 3.6 59.4 1.0 CG2 D:ILE233 3.9 59.8 1.0 C2 E:6JW402 4.2 1.0 1.0 CG2 A:ILE233 4.3 52.7 1.0 C5 E:6JW402 4.3 0.8 1.0 CG2 E:ILE233 4.4 56.4 1.0 C3 D:LMT401 4.6 64.9 1.0 C1 E:6JW402 4.7 0.6 1.0 C E:6JW402 4.8 0.4 1.0 CB C:ILE233 4.8 59.8 1.0

Z.Fourati, R.R.Ruza, D.Laverty, E.Drege, S.Delarue-Cochin, D.Joseph, P.Koehl, T.Smart, M.Delarue. Barbiturates Bind in the Glic Ion Channel Pore and Cause Inhibition By Stabilizing A Closed State. J. Biol. Chem. V. 292 1550 2017.
ISSN: ESSN 1083-351X
PubMed: 27986812
DOI: 10.1074/JBC.M116.766964