Bromine in PDB 3dho: Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor

The structure of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor, PDB code: 3dho was solved by S.L.Roderick, A.Pesaresi, G.D.Wright, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.47 / 1.80
Space group	F 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	183.653, 183.620, 183.644, 90.00, 90.00, 90.00
R / Rfree (%)	17.6 / 21.3

The structure of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor also contains other interesting chemical elements:

Chlorine

(Cl)

12 atoms

The binding sites of Bromine atom in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor (pdb code 3dho). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 6 binding sites of Bromine where determined in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor, PDB code: 3dho:
Jump to Bromine binding site number: 1; 2; 3; 4; 5; 6;

Bromine binding site 1 out of 6 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 1 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Br302 b:18.5 occ:0.60 BRAF A:B2M302 0.0 18.5 0.6 CAT A:B2M302 1.9 18.4 0.6 CAM A:B2M302 2.8 18.9 0.6 CAH A:B2M302 2.9 18.7 0.6 O A:ALA156 3.3 9.3 1.0 CB A:ALA141 3.6 8.6 1.0 N A:ALA141 3.7 7.7 1.0 CA A:ALA141 3.9 8.0 1.0 CG2 A:ILE139 3.9 8.1 1.0 O A:ILE139 3.9 8.9 1.0 N A:ALA156 3.9 9.5 1.0 CD2 A:LEU155 4.0 15.4 1.0 CD1 A:ILE164 4.0 16.8 1.0 CB A:LEU155 4.1 10.4 1.0 CAZ A:B2M302 4.1 18.2 0.6 CAI A:B2M302 4.2 18.2 0.6 C A:ALA156 4.2 8.9 1.0 CA A:LEU155 4.4 10.0 1.0 C A:VAL140 4.4 7.6 1.0 C A:LEU155 4.4 10.0 1.0 C A:ILE139 4.5 7.7 1.0 CG A:LEU155 4.6 13.6 1.0 CAY A:B2M302 4.6 18.0 0.6 CAU A:B2M302 4.7 16.0 0.6 CB A:ILE139 4.7 6.5 1.0 CA A:ALA156 4.7 8.8 1.0 CA A:VAL140 4.8 8.1 1.0 CAV A:B2M302 4.9 17.8 0.6 N A:VAL140 4.9 7.6 1.0 CLAE A:B2M302 4.9 14.8 0.6

Bromine binding site 2 out of 6 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 2 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Br300 b:16.1 occ:0.60 BRAF B:B2M300 0.0 16.1 0.6 CAT B:B2M300 1.9 17.7 0.6 CAM B:B2M300 2.9 17.8 0.6 CAH B:B2M300 2.9 17.9 0.6 O B:ALA156 3.3 8.4 1.0 CB B:ALA141 3.6 8.4 1.0 N B:ALA141 3.6 7.7 1.0 CA B:ALA141 3.8 8.3 1.0 O B:ILE139 3.9 8.4 1.0 N B:ALA156 4.0 9.4 1.0 CG2 B:ILE139 4.0 8.5 1.0 CB B:LEU155 4.1 11.3 1.0 CD2 B:LEU155 4.1 15.5 1.0 CD1 B:ILE164 4.2 15.5 1.0 C B:ALA156 4.2 8.6 1.0 CAZ B:B2M300 4.2 17.6 0.6 CAI B:B2M300 4.2 17.2 0.6 C B:VAL140 4.4 8.0 1.0 CA B:LEU155 4.4 10.4 1.0 C B:ILE139 4.5 7.9 1.0 C B:LEU155 4.5 9.6 1.0 CG B:LEU155 4.7 14.7 1.0 CAY B:B2M300 4.7 17.4 0.6 CB B:ILE139 4.7 6.8 1.0 CA B:ALA156 4.8 8.4 1.0 CA B:VAL140 4.8 7.5 1.0 CAU B:B2M300 4.8 15.3 0.6 N B:VAL140 4.9 7.1 1.0 CAV B:B2M300 5.0 17.0 0.6

Bromine binding site 3 out of 6 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 3 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ C:Br301 b:21.1 occ:0.60 BRAF C:B2M301 0.0 21.1 0.6 CAT C:B2M301 1.9 22.2 0.6 CAM C:B2M301 2.8 22.9 0.6 CAH C:B2M301 2.9 22.4 0.6 O C:ALA156 3.4 8.8 1.0 CB C:ALA141 3.6 8.0 1.0 N C:ALA141 3.6 8.2 1.0 CA C:ALA141 3.8 7.7 1.0 CG2 C:ILE139 3.9 7.5 1.0 O C:ILE139 4.0 8.9 1.0 N C:ALA156 4.1 8.5 1.0 CB C:LEU155 4.1 11.4 1.0 CAZ C:B2M301 4.1 22.1 0.6 CAI C:B2M301 4.2 21.5 0.6 CD1 C:ILE164 4.2 17.1 1.0 C C:ALA156 4.2 8.0 1.0 CD2 C:LEU155 4.3 17.1 1.0 C C:VAL140 4.4 8.3 1.0 CA C:LEU155 4.5 10.3 1.0 C C:ILE139 4.5 8.6 1.0 C C:LEU155 4.6 9.4 1.0 CAU C:B2M301 4.6 18.7 0.6 CAY C:B2M301 4.7 21.8 0.6 CB C:ILE139 4.7 7.5 1.0 CAV C:B2M301 4.7 20.4 0.6 CG C:LEU155 4.8 13.9 1.0 CA C:VAL140 4.8 8.0 1.0 CA C:ALA156 4.8 8.1 1.0 CLAE C:B2M301 4.9 16.9 0.6 N C:VAL140 4.9 8.4 1.0 O C:HOH537 4.9 15.5 1.0 CAJ C:B2M301 5.0 19.9 0.6 OAC C:B2M301 5.0 21.1 0.6

Bromine binding site 4 out of 6 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 4 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ D:Br305 b:19.6 occ:0.30 BRAF D:B2M305 0.0 19.6 0.3 CAT D:B2M305 1.9 19.9 0.3 CAH D:B2M305 2.8 19.9 0.3 CAM D:B2M305 2.8 19.8 0.3 O D:ALA156 3.3 13.4 1.0 CB D:ALA141 3.5 12.1 1.0 N D:ALA141 3.7 11.0 1.0 CA D:ALA141 3.8 11.4 1.0 CD2 D:LEU155 3.9 19.8 1.0 CG2 D:ILE139 4.0 10.0 1.0 N D:ALA156 4.1 14.7 1.0 O D:ILE139 4.1 12.3 1.0 CB D:LEU155 4.1 16.1 1.0 CAI D:B2M305 4.1 19.3 0.3 CAZ D:B2M305 4.2 19.7 0.3 C D:ALA156 4.2 13.9 1.0 CD1 D:ILE164 4.3 22.7 1.0 CA D:LEU155 4.5 15.3 1.0 C D:VAL140 4.5 10.6 1.0 C D:LEU155 4.5 15.1 1.0 C D:ILE139 4.6 11.3 1.0 CG D:LEU155 4.6 19.3 1.0 CAU D:B2M305 4.6 17.2 0.3 CAY D:B2M305 4.6 19.6 0.3 CA D:ALA156 4.8 14.3 1.0 CB D:ILE139 4.8 10.5 1.0 CAV D:B2M305 4.8 17.9 0.3 CAJ D:B2M305 4.9 17.7 0.3 CLAE D:B2M305 4.9 15.1 0.3 CA D:VAL140 4.9 10.7 1.0

Bromine binding site 5 out of 6 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 5 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Br303 b:18.6 occ:0.30 BRAF E:B2M303 0.0 18.6 0.3 CAT E:B2M303 1.9 18.5 0.3 CAH E:B2M303 2.9 18.8 0.3 CAM E:B2M303 2.9 18.8 0.3 O E:ALA156 3.4 11.9 1.0 CB E:ALA141 3.5 11.9 1.0 N E:ALA141 3.6 11.7 1.0 CA E:ALA141 3.8 11.6 1.0 CD2 E:LEU155 3.9 21.9 1.0 CG2 E:ILE139 3.9 10.1 1.0 O E:ILE139 4.0 10.9 1.0 N E:ALA156 4.1 13.8 1.0 CB E:LEU155 4.2 15.9 1.0 CAI E:B2M303 4.2 18.3 0.3 CAZ E:B2M303 4.2 18.5 0.3 C E:ALA156 4.2 12.3 1.0 C E:VAL140 4.4 11.3 1.0 CD1 E:ILE164 4.4 22.2 1.0 CA E:LEU155 4.5 15.4 1.0 C E:ILE139 4.5 10.8 1.0 C E:LEU155 4.6 14.5 1.0 CG E:LEU155 4.7 19.0 1.0 CAY E:B2M303 4.7 18.4 0.3 CB E:ILE139 4.7 10.6 1.0 CAU E:B2M303 4.8 15.0 0.3 CA E:ALA156 4.8 13.1 1.0 CA E:VAL140 4.8 11.1 1.0 CAV E:B2M303 4.9 16.0 0.3 N E:VAL140 4.9 10.4 1.0

Bromine binding site 6 out of 6 in the Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Bromine with other atoms in the Br binding site number 6 of Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ E:Br304 b:23.3 occ:0.30 BRAF E:B2M304 0.0 23.3 0.3 CAT E:B2M304 1.9 22.8 0.3 CAM E:B2M304 2.9 22.8 0.3 CAH E:B2M304 2.9 22.7 0.3 CB F:ALA141 3.6 12.3 1.0 O F:ALA156 3.6 13.6 1.0 N F:ALA141 3.6 11.8 1.0 CG2 F:ILE139 3.7 12.8 1.0 CA F:ALA141 3.8 12.3 1.0 CD2 F:LEU155 3.9 22.8 1.0 CB F:LEU155 3.9 16.4 1.0 O F:ILE139 4.0 12.2 1.0 N F:ALA156 4.1 14.6 1.0 CAZ E:B2M304 4.2 22.8 0.3 CAI E:B2M304 4.2 22.5 0.3 C F:VAL140 4.4 12.1 1.0 C F:ALA156 4.4 13.7 1.0 CA F:LEU155 4.4 15.8 1.0 CD1 F:ILE164 4.4 24.1 1.0 C F:ILE139 4.4 11.9 1.0 CB F:ILE139 4.5 12.4 1.0 CG F:LEU155 4.6 19.8 1.0 C F:LEU155 4.6 14.9 1.0 CAU E:B2M304 4.7 18.9 0.3 CAY E:B2M304 4.7 22.6 0.3 CAV E:B2M304 4.7 19.9 0.3 CA F:VAL140 4.8 12.2 1.0 N F:VAL140 4.8 11.9 1.0 CA F:ALA156 4.9 14.0 1.0 OAC E:B2M304 4.9 20.2 0.3 O F:HOH550 5.0 19.6 1.0

N.J.Johnston, J.E.Blanchard, K.P.Koteva, L.J.Ejim, A.Pesaresi, S.L.Roderick, G.D.Wright. Structure of Streptogramin Acetyltransferase in Complex with An Inhibitor To Be Published.