Bromine in PDB 5iwn: Bacterial Sodium Channel Pore Domain, High Bromide

The structure of Bacterial Sodium Channel Pore Domain, High Bromide, PDB code: 5iwn was solved by D.Shaya, F.Findeisen, A.Rohaim, D.L.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 3.75
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	157.400, 160.870, 167.350, 90.00, 90.00, 90.00
R / Rfree (%)	22.8 / 28

The binding sites of Bromine atom in the Bacterial Sodium Channel Pore Domain, High Bromide (pdb code 5iwn). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Bacterial Sodium Channel Pore Domain, High Bromide, PDB code: 5iwn:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Bacterial Sodium Channel Pore Domain, High Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Bacterial Sodium Channel Pore Domain, High Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:0.8 occ:1.00 NE A:ARG264 2.3 0.9 1.0 CD A:ARG264 2.4 0.2 1.0 CD C:ARG264 2.7 0.1 1.0 NE C:ARG264 2.9 0.8 1.0 NE B:ARG264 3.3 0.3 1.0 NH2 B:ARG264 3.4 0.8 1.0 NE D:ARG264 3.4 0.9 1.0 CG A:ARG264 3.5 0.6 1.0 CD D:ARG264 3.5 0.9 1.0 CZ A:ARG264 3.5 0.9 1.0 CG C:ARG264 3.7 0.7 1.0 CZ B:ARG264 3.8 0.2 1.0 NH1 A:ARG264 4.1 0.7 1.0 CG D:ARG264 4.2 0.5 1.0 CZ C:ARG264 4.3 0.7 1.0 CD B:ARG264 4.5 0.4 1.0 NH2 A:ARG264 4.6 0.8 1.0 CZ D:ARG264 4.6 0.8 1.0 NH1 C:ARG264 4.9 0.1 1.0 CB A:ARG264 5.0 0.9 1.0

Bromine binding site 2 out of 2 in the Bacterial Sodium Channel Pore Domain, High Bromide


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Bacterial Sodium Channel Pore Domain, High Bromide within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:0.1 occ:1.00 NE1 D:TRP246 3.2 0.1 1.0 NE1 A:TRP246 3.4 0.3 1.0 NE1 B:TRP246 3.5 0.9 1.0 NE1 C:TRP246 3.6 0.4 1.0 CZ2 A:TRP246 3.9 0.7 1.0 CE2 A:TRP246 4.0 0.4 1.0 CD1 D:TRP246 4.0 0.5 1.0 CE2 D:TRP246 4.1 0.8 1.0 CE2 B:TRP246 4.3 0.9 1.0 CZ2 B:TRP246 4.3 0.0 1.0 CE2 C:TRP246 4.4 0.7 1.0 CZ2 C:TRP246 4.5 0.4 1.0 CZ2 D:TRP246 4.5 0.7 1.0 CD1 A:TRP246 4.5 0.9 1.0 CD1 C:TRP246 4.6 0.8 1.0 CD1 B:TRP246 4.6 0.2 1.0

C.Arrigoni, A.Rohaim, D.Shaya, F.Findeisen, R.A.Stein, S.R.Nurva, S.Mishra, H.S.Mchaourab, D.L.Minor. Unfolding of A Temperature-Sensitive Domain Controls Voltage-Gated Channel Activation. Cell V. 164 922 2016.
ISSN: ISSN 1097-4172
PubMed: 26919429
DOI: 10.1016/J.CELL.2016.02.001