Bromine in PDB 1to3: Structure of Yiht From Salmonella Typhimurium

The structure of Structure of Yiht From Salmonella Typhimurium, PDB code: 1to3 was solved by J.Gorman, L.Shapiro, S.K.Burley, New York Sgx Research Centerfor Structural Genomics (Nysgxrc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.70
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	141.144, 141.144, 102.726, 90.00, 90.00, 90.00
R / Rfree (%)	17.9 / 20.8

The binding sites of Bromine atom in the Structure of Yiht From Salmonella Typhimurium (pdb code 1to3). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 9 binding sites of Bromine where determined in the Structure of Yiht From Salmonella Typhimurium, PDB code: 1to3:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9;

Bromine binding site 1 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br306 b:42.4 occ:0.78 N A:GLY202 3.4 45.0 1.0 CA A:LYS201 3.9 44.4 1.0 CB A:LYS201 4.0 44.5 1.0 CD1 A:LEU233 4.0 37.3 1.0 C A:LYS201 4.1 44.8 1.0 CG A:LYS201 4.2 46.2 1.0 CA A:GLY202 4.3 45.3 1.0 CD A:LYS201 4.3 47.8 1.0 O A:GLY202 4.4 45.3 1.0 CD2 A:LEU233 4.8 39.5 1.0 C A:GLY202 4.8 45.6 1.0

Bromine binding site 2 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br307 b:40.9 occ:0.78 CG1 A:VAL101 3.4 38.2 1.0 CD A:PRO100 3.5 37.0 1.0 N A:VAL101 3.5 38.0 1.0 NH2 A:ARG163 3.6 34.9 1.0 CG A:PRO100 3.7 37.7 1.0 O A:VAL101 3.7 38.1 1.0 CB A:ILE99 3.8 35.5 1.0 CD1 A:ILE99 4.0 34.9 1.0 N A:PRO100 4.0 37.1 1.0 CA A:VAL101 4.1 38.1 1.0 C A:VAL101 4.1 38.5 1.0 CG1 A:ILE99 4.2 34.7 1.0 CB A:VAL101 4.3 38.2 1.0 CZ A:ARG163 4.4 34.2 1.0 C A:PRO100 4.5 38.1 1.0 C A:ILE99 4.6 36.5 1.0 CG2 A:ILE99 4.6 34.5 1.0 CA A:PRO100 4.7 37.5 1.0 NH1 A:ARG163 4.7 34.3 1.0 CA A:ILE99 4.7 35.9 1.0 CB A:PRO100 4.7 38.3 1.0

Bromine binding site 3 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br308 b:43.5 occ:0.66 N A:VAL40 3.3 50.5 1.0 CD A:ARG28 3.8 48.4 1.0 CG2 A:VAL40 3.8 49.4 1.0 CA A:PRO39 3.9 51.7 1.0 CG A:ARG28 4.0 49.1 1.0 CB A:VAL40 4.0 49.8 1.0 C A:PRO39 4.1 51.1 1.0 CA A:VAL40 4.2 49.9 1.0 CB A:PRO39 4.4 52.0 1.0 CG2 A:THR38 4.4 53.6 1.0 CB A:THR38 4.5 54.2 1.0 CB A:ALA32 4.6 50.2 1.0 O A:VAL40 4.7 49.2 1.0 CA A:THR38 4.9 54.5 1.0 O A:ARG28 5.0 49.0 1.0 C A:VAL40 5.0 49.2 1.0

Bromine binding site 4 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br309 b:39.4 occ:0.53 O A:HOH357 3.0 43.4 1.0 O A:HOH384 3.0 39.3 1.0 N A:ASP172 3.6 42.7 1.0 O A:ASP172 3.8 41.3 1.0 CB A:ALA176 4.1 37.5 1.0 O A:LYS170 4.1 47.4 1.0 CA A:PHE171 4.2 44.1 1.0 CD1 A:PHE171 4.3 42.7 1.0 N A:ALA176 4.4 38.0 1.0 CA A:ASP172 4.4 42.6 1.0 C A:ASP172 4.4 41.9 1.0 C A:PHE171 4.4 43.4 1.0 CB A:ASP172 4.4 43.3 1.0 CA A:ALA176 4.5 37.8 1.0 CB A:SER131 4.7 39.5 1.0 C A:LYS170 4.8 46.4 1.0 O A:HOH321 4.8 34.7 1.0 CB A:GLN175 4.8 38.4 1.0 OG A:SER131 4.9 39.0 1.0 N A:PHE171 4.9 45.1 1.0 CE1 A:PHE171 5.0 42.3 1.0

Bromine binding site 5 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br310 b:40.7 occ:0.33 NH2 A:ARG204 3.0 55.5 1.0 NE A:ARG239 3.6 44.5 1.0 NZ A:LYS290 3.9 56.6 1.0 CZ A:ARG204 4.1 56.0 1.0 CD A:ARG239 4.2 42.1 1.0 CB A:ARG239 4.3 40.1 1.0 SE A:MSE287 4.3 54.7 1.0 CZ A:ARG239 4.4 43.8 1.0 NH2 A:ARG239 4.5 43.8 1.0 NH1 A:ARG204 4.5 56.3 1.0 CE A:MSE287 4.8 55.6 1.0 CG A:ARG239 4.8 41.3 1.0

Bromine binding site 6 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br311 b:41.7 occ:0.56 O A:HOH386 3.0 35.1 1.0 ND2 A:ASN51 3.2 37.7 1.0 C A:ASP47 3.6 42.3 1.0 N A:PHE48 3.6 41.6 1.0 O A:ASP47 3.6 42.4 1.0 CA A:PHE48 3.6 41.1 1.0 CB A:ASP47 3.7 43.0 1.0 CG2 A:THR265 3.8 45.3 1.0 CB A:THR265 3.9 45.0 1.0 OG1 A:THR265 4.1 44.2 1.0 CB A:PHE48 4.2 41.0 1.0 CA A:ASP47 4.3 42.5 1.0 CG A:ASN51 4.3 40.3 1.0 CB A:ASN51 4.6 40.1 1.0 CD1 A:PHE48 4.7 40.7 1.0 C A:PHE48 4.9 40.8 1.0 CG A:PHE48 4.9 41.1 1.0 O A:HOH406 4.9 38.2 1.0 CG A:ASP47 4.9 45.1 1.0 O A:VAL44 5.0 44.7 1.0

Bromine binding site 7 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br312 b:40.8 occ:0.35 CA A:ASP264 3.4 45.0 1.0 C A:ASP264 3.4 44.9 1.0 N A:LEU267 3.5 46.8 1.0 CB A:ASP264 3.5 45.7 1.0 O A:ASP264 3.5 45.0 1.0 N A:GLU266 3.7 46.2 1.0 CB A:GLU266 3.9 47.4 1.0 N A:THR265 4.0 45.1 1.0 CB A:LEU267 4.0 47.3 1.0 OD1 A:ASP264 4.0 52.9 1.0 CA A:GLU266 4.2 47.1 1.0 CG A:ASP264 4.2 47.8 1.0 CG A:LEU267 4.2 48.2 1.0 C A:GLU266 4.3 46.9 1.0 CA A:LEU267 4.4 46.8 1.0 C A:THR265 4.5 45.4 1.0 CG A:GLU266 4.7 49.4 1.0 N A:ASP264 4.8 44.4 1.0 CA A:THR265 4.8 45.2 1.0 CD1 A:LEU267 4.9 49.1 1.0

Bromine binding site 8 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br313 b:41.1 occ:0.50 O A:HOH392 3.2 34.0 1.0 BR A:BR314 3.3 43.6 0.4 CG A:ARG11 3.6 47.3 1.0 CA A:SER61 3.6 38.2 1.0 CB A:SER61 3.7 37.8 1.0 O A:ALA60 3.9 38.6 1.0 N A:SER61 4.0 38.2 1.0 CA A:ARG11 4.0 47.1 1.0 O A:HOH344 4.1 33.7 1.0 C A:ALA60 4.1 38.5 1.0 CB A:ARG11 4.2 47.2 1.0 NH1 A:ARG11 4.2 48.0 1.0 O A:SER83 4.5 51.5 1.0 N A:ARG11 4.6 47.1 1.0 CZ A:ARG11 4.7 47.9 1.0 CD A:ARG11 4.8 47.3 1.0 O A:THR10 4.9 47.0 1.0 NE A:ARG11 5.0 47.6 1.0

Bromine binding site 9 out of 9 in the Structure of Yiht From Salmonella Typhimurium


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of Yiht From Salmonella Typhimurium within 5.0Å range: probe atom residue distance (Å) B Occ A:Br314 b:43.6 occ:0.40 BR A:BR313 3.3 41.1 0.5 N A:ALA12 3.4 47.0 1.0 CB A:ARG11 3.4 47.2 1.0 CA A:ARG11 3.7 47.1 1.0 CG A:ARG11 3.7 47.3 1.0 NE A:ARG11 4.0 47.6 1.0 CZ A:ARG11 4.0 47.9 1.0 C A:ARG11 4.1 47.0 1.0 CB A:ALA12 4.1 46.8 1.0 NH2 A:ARG11 4.2 46.7 1.0 CA A:ALA12 4.4 46.8 1.0 NH1 A:ARG11 4.5 48.0 1.0 CD A:ARG11 4.5 47.3 1.0 O A:HOH392 4.9 34.0 1.0

J.Gorman, L.Shapiro. Structure of Yiht From Salmonella Typhimurium To Be Published.