Bromine in PDB 1ihr: Crystal Structure of the Dimeric C-Terminal Domain of Tonb

The structure of Crystal Structure of the Dimeric C-Terminal Domain of Tonb, PDB code: 1ihr was solved by C.Chang, A.Mooser, A.Pluckthun, A.Wlodawer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.55
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	63.770, 86.330, 26.550, 90.00, 90.00, 90.00
R / Rfree (%)	16 / 23

The binding sites of Bromine atom in the Crystal Structure of the Dimeric C-Terminal Domain of Tonb (pdb code 1ihr). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 4 binding sites of Bromine where determined in the Crystal Structure of the Dimeric C-Terminal Domain of Tonb, PDB code: 1ihr:
Jump to Bromine binding site number: 1; 2; 3; 4;

Bromine binding site 1 out of 4 in the Crystal Structure of the Dimeric C-Terminal Domain of Tonb


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 Dimeric C-Terminal Domain of Tonb within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:35.7 occ:1.00 O A:HOH365 2.9 40.4 1.0 N A:ARG166 3.4 22.2 1.0 N A:GLU216 3.4 23.0 1.0 CD2 A:TYR215 3.8 20.7 1.0 CG A:ARG166 3.8 32.4 1.0 CB A:ARG166 3.9 21.4 1.0 CA A:ALA165 3.9 31.7 1.0 CB A:GLU216 4.0 29.9 1.0 CB A:TYR215 4.0 18.5 1.0 CA A:TYR215 4.1 17.0 1.0 C A:ALA165 4.2 26.0 1.0 CB A:ALA165 4.2 41.8 1.0 CA A:ARG166 4.2 19.5 1.0 C A:TYR215 4.2 18.4 1.0 CA A:GLU216 4.3 26.7 1.0 CD A:ARG166 4.4 38.1 1.0 CG A:TYR215 4.4 17.6 1.0 NE A:ARG166 4.4 44.4 1.0 O A:HOH317 4.6 28.4 1.0 CE2 A:TYR215 4.8 19.4 1.0 OE2 A:GLU216 5.0 50.5 1.0

Bromine binding site 2 out of 4 in the Crystal Structure of the Dimeric C-Terminal Domain of Tonb


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Crystal Structure of the Dimeric C-Terminal Domain of Tonb within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:38.7 occ:1.00 O A:HOH334 2.9 36.0 1.0 NH1 A:ARG212 3.3 34.6 1.0 O A:HOH394 3.7 41.2 1.0 NH1 A:ARG211 3.9 45.3 1.0 CG A:ARG212 3.9 23.4 1.0 CD A:ARG212 4.2 28.5 1.0 O A:HOH316 4.3 28.2 1.0 CZ A:ARG212 4.4 30.5 1.0 NE A:ARG212 4.7 30.8 1.0 O A:HOH363 4.8 48.7 1.0 CZ A:ARG211 4.9 32.1 1.0

Bromine binding site 3 out of 4 in the Crystal Structure of the Dimeric C-Terminal Domain of Tonb


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Crystal Structure of the Dimeric C-Terminal Domain of Tonb within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:48.1 occ:1.00 O B:HOH356 2.9 36.0 1.0 O B:HOH411 3.4 77.0 1.0 NH1 B:ARG211 3.8 57.6 1.0 CG B:ARG212 3.9 29.9 1.0 NH1 B:ARG212 3.9 51.9 1.0 CD B:ARG212 4.3 35.6 1.0 CZ B:ARG211 4.5 50.5 1.0 CZ B:ARG212 5.0 43.3 1.0 CB B:ARG211 5.0 21.4 1.0 NH2 B:ARG211 5.0 57.8 1.0

Bromine binding site 4 out of 4 in the Crystal Structure of the Dimeric C-Terminal Domain of Tonb


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Crystal Structure of the Dimeric C-Terminal Domain of Tonb within 5.0Å range: probe atom residue distance (Å) B Occ B:Br304 b:57.7 occ:1.00 N B:GLU216 3.2 29.7 1.0 O B:HOH378 3.4 51.2 1.0 CB B:ARG166 3.6 41.5 1.0 CD2 B:TYR215 3.7 28.9 1.0 CD B:ARG166 3.8 47.0 1.0 CB B:TYR215 3.8 26.3 1.0 CA B:TYR215 3.9 25.0 1.0 CB B:GLU216 3.9 39.6 1.0 C B:TYR215 4.1 27.5 1.0 N B:ARG166 4.1 45.2 1.0 CG B:ARG166 4.2 45.8 1.0 CA B:GLU216 4.2 30.3 1.0 O B:HOH406 4.2 75.6 1.0 CG B:TYR215 4.2 27.7 1.0 CA B:ARG166 4.5 39.8 1.0 O B:HOH364 4.6 35.2 1.0 CE2 B:TYR215 4.7 28.3 1.0 NE B:ARG166 4.9 54.6 1.0

C.Chang, A.Mooser, A.Pluckthun, A.Wlodawer. Crystal Structure of the Dimeric C-Terminal Domain of Tonb Reveals A Novel Fold. J.Biol.Chem. V. 276 27535 2001.
ISSN: ISSN 0021-9258
PubMed: 11328822
DOI: 10.1074/JBC.M102778200