Bromine in PDB 6tl2: Crystal Structure of Eremococcus Coleocola Manganese Transporter in Complex with An Aromatic Bis-Isothiourea Substituted Compound

The structure of Crystal Structure of Eremococcus Coleocola Manganese Transporter in Complex with An Aromatic Bis-Isothiourea Substituted Compound, PDB code: 6tl2 was solved by C.Manatschal, R.Dutzler, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	12.00 / 3.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	150.010, 81.650, 95.590, 90.00, 107.43, 90.00
R / Rfree (%)	21.6 / 25.8

The binding sites of Bromine atom in the Crystal Structure of Eremococcus Coleocola Manganese Transporter in Complex with An Aromatic Bis-Isothiourea Substituted Compound (pdb code 6tl2). 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 Eremococcus Coleocola Manganese Transporter in Complex with An Aromatic Bis-Isothiourea Substituted Compound, PDB code: 6tl2:

Bromine binding site 1 out of 1 in the Crystal Structure of Eremococcus Coleocola Manganese Transporter in Complex with An Aromatic Bis-Isothiourea Substituted Compound


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 Eremococcus Coleocola Manganese Transporter in Complex with An Aromatic Bis-Isothiourea Substituted Compound within 5.0Å range: probe atom residue distance (Å) B Occ A:Br601 b:0.4 occ:1.00 BR1 A:NJZ601 0.0 0.4 1.0 CAH A:NJZ601 1.9 0.7 1.0 CAJ A:NJZ601 2.8 0.6 1.0 HAJ A:NJZ601 2.9 0.3 1.0 CAG A:NJZ601 2.9 0.1 1.0 HAG A:NJZ601 3.0 0.5 1.0 O A:ILE233 3.3 0.7 1.0 CD1 A:LEU414 3.5 0.6 1.0 OD1 A:ASN456 3.8 0.8 1.0 CB A:LEU410 3.9 0.8 1.0 O A:GLY230 4.0 0.2 1.0 O A:LEU410 4.1 0.3 1.0 CAK A:NJZ601 4.1 0.3 1.0 C A:LEU410 4.2 0.8 1.0 CAF A:NJZ601 4.2 0.8 1.0 CB A:LEU414 4.4 0.4 1.0 N A:ALA411 4.5 0.2 1.0 CD A:PRO235 4.5 0.1 1.0 C A:ILE233 4.6 0.8 1.0 CG A:LEU414 4.6 0.1 1.0 CA A:LEU410 4.6 0.2 1.0 CAQ A:NJZ601 4.7 0.3 1.0 CD2 A:LEU410 4.7 0.9 1.0 CA A:ALA231 4.8 0.2 1.0 CA A:ALA411 4.9 0.6 1.0 CG A:ASN456 4.9 0.1 1.0 CG A:LEU410 4.9 0.4 1.0

C.Manatschal, J.Pujol-Gimenez, M.Poirier, J.L.Reymond, M.A.Hediger, R.Dutzler. Mechanistic Basis of the Inhibition of SLC11/Nramp-Mediated Metal Ion Transport By Bis-Isothiourea Substituted Compounds. Elife V. 8 2019.
ISSN: ESSN 2050-084X
PubMed: 31804182
DOI: 10.7554/ELIFE.51913