Bromine in PDB 4p6k: Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Lipidic Cubic Phase

The structure of Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Lipidic Cubic Phase, PDB code: 4p6k was solved by N.H.Joh, R.Acharya, W.F.Degrado, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.08 / 2.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	46.870, 46.870, 60.603, 90.00, 90.00, 90.00
R / Rfree (%)	29.5 / 30.5

The binding sites of Bromine atom in the Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Lipidic Cubic Phase (pdb code 4p6k). 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 Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Lipidic Cubic Phase, PDB code: 4p6k:

Bromine binding site 1 out of 1 in the Crystal Structure of the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Lipidic Cubic Phase


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 the Computationally Designed Transmembrane Metallotransporter with 4-Bromophenylalanine in Lipidic Cubic Phase within 5.0Å range: probe atom residue distance (Å) B Occ A:Br2 b:78.7 occ:0.00 BR A:4BF2 0.0 78.7 0.0 CZ A:4BF2 1.9 84.3 1.0 CE1 A:4BF2 2.9 81.6 1.0 CE2 A:4BF2 2.9 85.3 1.0 CD2 A:4BF2 4.2 87.6 1.0 CD1 A:4BF2 4.2 82.2 1.0 CE2 A:TYR1 4.4 76.0 1.0 CD2 A:TYR1 4.4 80.0 1.0 CG A:4BF2 4.7 87.9 1.0

N.H.Joh, T.Wang, M.Bhate, R.Acharya, Y.Wu, M.Grabe, M.Hong, G.Grigoryan, W.F.Degrado. De Novo Design of A Transmembrane Zn(II) Transporting Four-Helix Bundle Science 2014.
ISSN: ESSN 1095-9203