Bromine in PDB 3d7r: Crystal Structure of A Putative Esterase From Staphylococcus Aureus

The structure of Crystal Structure of A Putative Esterase From Staphylococcus Aureus, PDB code: 3d7r was solved by R.Lam, K.P.Battaile, T.Chan, V.Romanov, K.Lam, M.Soloveychik, J.Wu-Brown, E.F.Pai, N.Y.Chirgadze, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	41.56 / 2.01
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	41.888, 46.412, 91.688, 80.82, 89.97, 69.51
R / Rfree (%)	15.8 / 19.2

The structure of Crystal Structure of A Putative Esterase From Staphylococcus Aureus also contains other interesting chemical elements:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Bromine atom in the Crystal Structure of A Putative Esterase From Staphylococcus Aureus (pdb code 3d7r). This binding sites where shown within 5.0 Angstroms radius around Bromine atom.
In total 2 binding sites of Bromine where determined in the Crystal Structure of A Putative Esterase From Staphylococcus Aureus, PDB code: 3d7r:
Jump to Bromine binding site number: 1; 2;

Bromine binding site 1 out of 2 in the Crystal Structure of A Putative Esterase From Staphylococcus Aureus


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 A Putative Esterase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ A:Br1000 b:22.1 occ:1.00 N A:LYS274 3.4 11.9 1.0 C A:TYR272 3.8 11.3 1.0 N A:PRO273 3.8 12.1 1.0 CB A:TYR272 3.8 10.7 1.0 CD A:PRO273 3.9 12.0 1.0 CB A:LYS274 3.9 12.6 1.0 CA A:TYR272 4.0 11.4 1.0 CG A:MSE275 4.1 12.7 1.0 CA A:LYS274 4.1 12.1 1.0 CD1 A:TYR272 4.1 12.2 1.0 N A:MSE275 4.2 11.4 1.0 O A:TYR272 4.2 12.1 1.0 CE A:MSE275 4.3 14.6 1.0 C A:PRO273 4.4 12.2 1.0 CG A:TYR272 4.4 11.3 1.0 C A:LYS274 4.4 11.0 1.0 NZ A:LYS274 4.5 29.3 1.0 CA A:PRO273 4.5 12.2 1.0 CG A:LYS274 4.6 16.1 1.0 CD A:LYS274 4.7 21.6 1.0 CG A:GLN286 4.8 16.5 1.0 CB A:PRO273 4.8 12.0 1.0 CG A:PRO273 4.9 13.9 1.0 CB A:MSE275 4.9 11.3 1.0

Bromine binding site 2 out of 2 in the Crystal Structure of A Putative Esterase From Staphylococcus Aureus


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 A Putative Esterase From Staphylococcus Aureus within 5.0Å range: probe atom residue distance (Å) B Occ B:Br1001 b:21.5 occ:1.00 N B:LYS274 3.4 12.5 1.0 CB B:TYR272 3.8 11.0 1.0 N B:PRO273 3.8 12.3 1.0 C B:TYR272 3.8 11.6 1.0 CD B:PRO273 3.8 12.6 1.0 CB B:LYS274 3.8 13.1 1.0 CA B:TYR272 4.0 11.2 1.0 CA B:LYS274 4.0 12.9 1.0 CG B:MSE275 4.1 13.0 1.0 CD1 B:TYR272 4.1 12.8 1.0 N B:MSE275 4.2 11.4 1.0 O B:TYR272 4.3 11.9 1.0 CE B:MSE275 4.3 15.1 1.0 C B:LYS274 4.4 11.9 1.0 C B:PRO273 4.4 12.3 1.0 CG B:TYR272 4.4 12.0 1.0 CA B:PRO273 4.6 12.4 1.0 CD B:LYS274 4.6 21.9 1.0 NZ B:LYS274 4.7 28.8 1.0 CG B:LYS274 4.8 17.4 1.0 CG B:PRO273 4.9 13.8 1.0 CB B:PRO273 4.9 12.7 1.0 CB B:MSE275 4.9 10.9 1.0 CG B:GLN286 5.0 13.4 1.0

K.P.Battaile, R.Lam, T.Chan, V.Romanov, K.Lam, M.Soloveychik, J.Wu-Brown, E.F.Pai, N.Y.Chirgadze. Crystal Structure of A Putative Esterase From Staphylococcus Aureus To Be Published.