Bromine in PDB 8a9o: Structure of the Polyamine Acetyltransferase Dpa

The structure of Structure of the Polyamine Acetyltransferase Dpa, PDB code: 8a9o was solved by A.Garcia-Pino, D.Jurenas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.86 / 1.59
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	43.33, 69.295, 55.773, 90, 109.08, 90
R / Rfree (%)	18.9 / 22

The structure of Structure of the Polyamine Acetyltransferase Dpa also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Sodium	(Na)	2 atoms

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 18;

Binding sites:

The binding sites of Bromine atom in the Structure of the Polyamine Acetyltransferase Dpa (pdb code 8a9o). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 18 binding sites of Bromine where determined in the Structure of the Polyamine Acetyltransferase Dpa, PDB code: 8a9o:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Bromine binding site 1 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br202 b:32.0 occ:0.69 NH1 A:ARG112 3.3 29.7 1.0 O A:HOH350 3.4 51.0 1.0 CD A:ARG112 3.9 22.8 1.0 CE1 B:PHE145 3.9 32.9 1.0 CD1 B:PHE145 4.0 32.1 1.0 CB A:LEU111 4.1 24.4 1.0 O A:HOH322 4.2 35.2 1.0 O A:HOH464 4.3 50.6 1.0 CZ A:ARG112 4.3 28.4 1.0 CG A:ARG112 4.4 20.4 1.0 O A:LEU111 4.5 21.5 1.0 NE A:ARG112 4.6 25.9 1.0 CB A:ARG112 4.6 20.4 1.0 CD1 A:LEU111 4.7 30.1 1.0 C A:LEU111 4.8 21.6 1.0 CG A:LEU111 4.8 28.7 1.0 CD2 A:LEU111 4.8 30.6 1.0

Bromine binding site 2 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br203 b:43.9 occ:0.62 O A:HOH412 2.9 43.7 1.0 NE A:ARG4 3.2 21.2 1.0 CE1 A:HIS-1 3.7 33.7 1.0 CG2 A:ILE2 3.9 20.1 1.0 CD A:ARG4 4.0 19.2 1.0 NH2 A:ARG4 4.1 22.1 1.0 CZ A:ARG4 4.1 22.6 1.0 CD1 A:ILE53 4.2 22.1 1.0 NE2 A:HIS-1 4.2 34.1 1.0 O A:HOH433 4.8 29.6 1.0 ND1 A:HIS-1 4.9 32.9 1.0 CD1 A:ILE2 4.9 24.0 1.0

Bromine binding site 3 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br204 b:26.7 occ:0.50 N A:TYR8 3.5 19.2 1.0 CD2 A:TYR8 3.5 22.3 1.0 O A:HOH373 3.6 54.6 1.0 CA A:THR7 3.7 18.4 1.0 CB A:THR7 3.9 21.6 1.0 C A:THR7 4.1 18.6 1.0 CZ A:PHE42 4.2 18.7 1.0 CE2 A:TYR8 4.2 22.7 1.0 CG A:TYR8 4.3 21.6 1.0 CB A:TYR8 4.4 20.7 1.0 CE2 A:PHE42 4.4 19.4 1.0 CG2 A:THR7 4.5 23.2 1.0 CA A:TYR8 4.6 19.8 1.0 O A:HOH426 4.6 19.2 1.0 O A:HOH447 4.7 46.4 1.0 O A:ALA6 4.9 18.0 1.0

Bromine binding site 4 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br205 b:38.9 occ:0.55 O A:HOH420 2.9 32.2 1.0 NZ A:LYS54 3.1 41.3 1.0 CE A:LYS54 3.4 37.3 1.0 CD A:LYS54 3.6 30.9 1.0 CG A:LYS54 4.0 25.0 1.0 CE1 A:PHE88 4.1 25.1 1.0 O A:HOH458 4.3 41.1 1.0 O A:HOH429 4.8 51.3 1.0 CB A:ASP55 4.8 29.8 1.0 CD1 A:PHE88 5.0 23.7 1.0 CZ A:PHE88 5.0 25.2 1.0

Bromine binding site 5 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br206 b:23.6 occ:0.52 OG A:SER47 2.2 15.8 0.2 NH2 A:ARG41 3.1 19.2 1.0 ND2 A:ASN44 3.2 22.7 0.5 NE A:ARG41 3.3 19.0 1.0 CB A:SER47 3.4 16.5 0.2 O A:HOH417 3.5 43.2 1.0 CB A:SER47 3.6 19.8 0.8 CZ A:ARG41 3.7 19.0 1.0 OD1 A:ASN44 3.8 26.4 0.5 CD1 B:PHE68 3.9 25.2 1.0 CG A:ASN44 4.0 24.5 0.5 CB A:ASN44 4.0 21.0 0.5 CB A:ASN44 4.1 20.2 0.5 CG A:ASN44 4.1 22.6 0.5 CB A:TYR65 4.2 21.7 1.0 O A:ARG41 4.2 16.5 1.0 CG B:PHE68 4.3 23.6 1.0 CB A:ARG41 4.4 14.8 1.0 CE1 B:PHE68 4.4 26.5 1.0 CD2 A:LEU63 4.4 12.8 0.2 CA A:SER47 4.5 17.9 0.8 CA A:SER47 4.5 17.1 0.2 OG A:SER47 4.5 24.3 0.8 CD A:ARG41 4.5 16.8 1.0 CA A:ARG41 4.6 14.7 1.0 CG A:ARG41 4.6 15.2 1.0 CB B:PHE68 4.6 20.9 1.0 O B:HOH345 4.7 43.8 1.0 ND2 A:ASN44 4.8 24.6 0.5 CD1 A:LEU63 4.8 24.3 0.8 C A:ARG41 4.8 15.3 1.0 N A:SER47 5.0 18.7 1.0 NH1 A:ARG41 5.0 17.5 1.0

Bromine binding site 6 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br207 b:29.7 occ:0.41 N A:ILE58 3.2 17.6 1.0 O A:HOH370 3.3 36.8 1.0 CB A:GLN13 3.8 23.0 1.0 CA A:LYS57 4.0 21.3 1.0 CB A:ILE58 4.1 17.3 1.0 C A:LYS57 4.1 19.8 1.0 CG1 A:ILE58 4.1 19.1 1.0 O A:HOH329 4.1 44.5 1.0 CA A:ILE58 4.2 16.5 1.0 O A:HOH466 4.4 51.2 1.0 O A:ILE58 4.5 17.5 1.0 O A:GLU56 4.5 28.7 1.0 CB A:LYS57 4.6 23.5 1.0 CD1 A:ILE58 4.7 20.3 1.0 O A:HOH354 4.7 57.6 1.0 C A:ILE58 4.9 16.4 1.0 CG A:LYS57 4.9 28.5 1.0 CA A:GLN13 4.9 20.1 1.0

Bromine binding site 7 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 7 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br208 b:43.4 occ:0.41 N A:ARG135 3.2 27.0 1.0 CB A:ARG135 3.6 30.2 1.0 CA A:ILE134 3.9 27.1 1.0 C A:ILE134 4.0 27.1 1.0 CA A:ARG135 4.0 28.4 1.0 CG2 A:ILE134 4.1 31.6 1.0 NE A:ARG135 4.5 43.2 1.0 CB A:ILE134 4.6 29.9 1.0 O A:PHE133 4.6 25.2 1.0 CD1 A:ILE134 4.8 35.2 1.0 O A:ARG135 4.8 30.8 1.0 CG A:ARG135 4.9 34.7 1.0 C A:ARG135 5.0 30.1 1.0

Bromine binding site 8 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 8 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br209 b:25.6 occ:0.38 O A:HOH369 2.6 36.4 1.0 O A:HOH432 3.1 33.3 1.0 O A:HOH336 3.1 29.1 1.0 NH2 A:ARG89 3.1 18.1 1.0 NH1 A:ARG89 3.8 19.6 1.0 CZ A:ARG89 3.9 19.7 1.0 CD1 A:PHE24 4.0 22.0 1.0 CE1 A:TYR83 4.0 17.8 1.0 CB A:PHE24 4.0 20.5 1.0 O A:HOH440 4.2 35.8 1.0 OH A:TYR83 4.2 20.3 1.0 C7P A:COA201 4.2 17.7 1.0 CG A:PHE24 4.4 20.9 1.0 CZ A:TYR83 4.6 18.4 1.0 CA A:PHE24 4.7 20.5 1.0 CG A:PRO86 4.9 20.9 1.0 CE1 A:PHE24 5.0 23.0 1.0

Bromine binding site 9 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 9 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br210 b:28.4 occ:0.35 O A:HOH308 2.8 44.1 1.0 NH1 A:ARG5 3.3 30.4 1.0 CD1 A:PHE104 3.7 21.6 1.0 CG A:ARG5 3.7 21.1 1.0 O A:HOH383 3.8 56.4 1.0 CD A:ARG5 3.8 24.5 1.0 CE1 A:PHE104 4.0 22.8 1.0 CZ A:PHE50 4.0 16.4 1.0 CE1 A:PHE50 4.2 16.3 1.0 CZ A:ARG5 4.4 31.7 1.0 OE1 A:GLN107 4.5 37.8 1.0 NE A:ARG5 4.6 28.3 1.0 CG A:PHE104 4.8 20.6 1.0

Bromine binding site 10 out of 18 in the Structure of the Polyamine Acetyltransferase Dpa


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 10 of Structure of the Polyamine Acetyltransferase Dpa within 5.0Å range: probe atom residue distance (Å) B Occ A:Br211 b:35.4 occ:0.33 O A:HOH454 2.4 56.4 1.0 ND1 A:HIS0 3.1 26.5 1.0 CA A:ASP55 3.5 26.9 1.0 CB A:ASP55 3.6 29.8 1.0 CB A:HIS0 3.9 23.0 1.0 CG A:HIS0 4.0 25.4 1.0 O A:HIS0 4.2 21.6 1.0 CE1 A:HIS0 4.2 26.9 1.0 CA A:HIS0 4.2 21.9 1.0 N A:ASP55 4.3 24.1 1.0 O A:HOH431 4.4 65.2 1.0 C A:ASP55 4.6 27.1 1.0 C A:HIS0 4.7 20.9 1.0 O A:HOH307 5.0 58.9 1.0

A.Garcia-Pino, D.Jurenas. Structure of the Polyamine Acetyltransferase Dpa To Be Published.