Bromine in PDB 7fib: Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii

The structure of Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii, PDB code: 7fib was solved by P.Chi, L.Guo, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.88 / 2.10
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	125.215, 125.215, 61.58, 90, 90, 120
R / Rfree (%)	20.5 / 23.1

The binding sites of Bromine atom in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii (pdb code 7fib). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 5 binding sites of Bromine where determined in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii, PDB code: 7fib:
Jump to Bromine binding site number: 1; 2; 3; 4; 5;

Bromine binding site 1 out of 5 in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii


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 Regulatory Domain of Acer in Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br301 b:134.5 occ:1.00 N A:ASP36 3.5 55.9 1.0 CB A:PHE34 3.6 53.4 1.0 CA A:PHE34 3.6 52.0 1.0 C A:PHE34 3.7 59.3 1.0 N A:LEU37 3.7 53.1 1.0 CB A:ASP36 3.8 62.5 1.0 CA A:ASP36 3.9 64.0 1.0 C A:ASP36 4.0 57.8 1.0 O A:PHE34 4.0 52.5 1.0 CD1 A:PHE34 4.0 64.8 1.0 N A:PRO35 4.0 56.9 1.0 CD A:PRO35 4.1 56.4 1.0 CG A:PHE34 4.3 54.5 1.0 CB A:LEU37 4.5 52.8 1.0 CA A:LEU37 4.5 56.7 1.0 C A:PRO35 4.6 57.3 1.0 CG A:ASP36 4.7 74.5 1.0 O A:ASP36 4.7 69.4 1.0 OD2 A:ASP36 4.8 74.6 1.0 CA A:PRO35 4.9 58.7 1.0

Bromine binding site 2 out of 5 in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii


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 Regulatory Domain of Acer in Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:195.8 occ:1.00 N A:ASP170 3.3 61.1 1.0 OD2 A:ASP170 3.4 90.9 1.0 N A:VAL99 3.7 83.9 1.0 CG A:ASP170 3.7 86.9 1.0 CB A:ASP170 3.8 75.8 1.0 CA A:HIS98 3.9 83.6 1.0 ND1 A:HIS98 3.9 93.1 1.0 CA A:LEU169 4.0 58.8 1.0 C A:LEU169 4.1 58.0 1.0 CA A:ASP170 4.1 62.5 1.0 O A:ALA168 4.2 62.5 1.0 CG2 A:VAL99 4.2 74.2 1.0 N A:VAL171 4.3 60.0 1.0 C A:HIS98 4.3 87.8 1.0 CB A:HIS98 4.3 91.2 1.0 CD2 A:LEU169 4.4 57.4 1.0 CG A:HIS98 4.4 92.3 1.0 OD1 A:ASP170 4.5 80.2 1.0 CB A:VAL99 4.5 73.8 1.0 O A:GLU97 4.5 94.1 1.0 CE A:LYS167 4.6 74.5 1.0 CA A:VAL99 4.7 75.6 1.0 C A:ASP170 4.7 66.9 1.0 CE1 A:HIS98 4.7 87.8 1.0 NZ A:LYS167 4.8 70.4 1.0 CB A:LEU169 4.8 55.8 1.0 N A:HIS98 5.0 97.5 1.0

Bromine binding site 3 out of 5 in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii


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 Regulatory Domain of Acer in Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Br301 b:163.2 occ:1.00 CB B:PHE34 3.4 58.9 1.0 CA B:PHE34 3.7 54.3 1.0 N B:ASP36 3.8 60.0 1.0 C B:PHE34 3.8 65.8 1.0 N B:LEU37 3.9 56.2 1.0 CB B:ASP36 3.9 71.3 1.0 CD1 B:PHE34 4.0 58.7 1.0 CA B:ASP36 4.1 70.5 1.0 C B:ASP36 4.2 61.5 1.0 CG B:PHE34 4.2 52.9 1.0 O B:PHE34 4.2 57.4 1.0 N B:PRO35 4.2 61.2 1.0 CB B:LEU37 4.5 55.2 1.0 CD B:PRO35 4.5 59.3 1.0 CA B:LEU37 4.6 61.3 1.0 C B:PRO35 4.9 68.8 1.0 O B:ASP36 4.9 72.9 1.0 CG B:ASP36 5.0 82.2 1.0

Bromine binding site 4 out of 5 in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii


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 Regulatory Domain of Acer in Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Br302 b:160.3 occ:1.00 O B:HOH418 3.4 42.3 1.0 N B:VAL112 3.4 39.6 1.0 CA B:VAL111 3.7 41.8 1.0 CB B:VAL111 3.9 40.8 1.0 O B:VAL112 4.0 47.6 1.0 C B:VAL111 4.1 45.6 1.0 O B:HOH435 4.3 65.4 1.0 CG1 B:VAL111 4.4 39.4 1.0 CA B:VAL112 4.4 42.5 1.0 CB B:VAL150 4.7 45.1 1.0 CB B:VAL112 4.7 41.3 1.0 C B:VAL112 4.7 44.9 1.0 O B:ILE110 4.7 37.9 1.0 NE2 B:GLN109 4.7 36.0 1.0 N B:VAL111 5.0 41.8 1.0

Bromine binding site 5 out of 5 in the Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii within 5.0Å range: probe atom residue distance (Å) B Occ B:Br303 b:193.9 occ:1.00 OD1 B:ASP170 2.9 77.3 1.0 N B:ASP170 3.1 54.0 1.0 CA B:LEU169 3.4 53.0 1.0 C B:LEU169 3.5 55.7 1.0 N B:VAL99 3.5 71.6 1.0 N B:VAL171 3.5 54.4 1.0 CG B:ASP170 3.7 75.0 1.0 CD2 B:LEU169 3.8 51.9 1.0 CB B:LEU169 3.9 49.2 1.0 CB B:VAL99 4.0 66.1 1.0 CA B:ASP170 4.0 56.6 1.0 CG2 B:VAL99 4.1 58.0 1.0 CG1 B:VAL171 4.2 57.0 1.0 C B:ASP170 4.2 64.6 1.0 CA B:HIS98 4.3 86.5 1.0 CB B:VAL171 4.3 54.2 1.0 OD2 B:ASP170 4.3 82.5 1.0 CA B:VAL99 4.3 64.9 1.0 CG B:LEU169 4.4 53.3 1.0 C B:HIS98 4.4 82.7 1.0 O B:ALA168 4.4 57.9 1.0 CB B:ASP170 4.4 61.5 1.0 O B:LEU169 4.5 52.1 1.0 CA B:VAL171 4.5 54.9 1.0 O B:VAL99 4.6 67.0 1.0 N B:LEU169 4.6 50.8 1.0 O B:GLU97 4.9 83.1 1.0 CB B:HIS98 4.9 87.6 1.0 C B:VAL99 5.0 68.5 1.0 C B:ALA168 5.0 55.0 1.0

P.Chi, L.Guo. Crystal Structure of the Regulatory Domain of Acer in Acinetobacter Baumannii To Be Published.