Chlorine 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:

Bromine	(Br)	2 atoms
Sodium	(Na)	2 atoms

The binding sites of Chlorine 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 Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of A Putative Esterase From Staphylococcus Aureus, PDB code: 3d7r:
Jump to Chlorine binding site number: 1; 2;

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1100 b:27.8 occ:1.00 O A:HOH1511 3.0 11.1 1.0 N A:GLN205 3.3 11.2 1.0 SE A:MSE248 3.8 28.2 0.8 CB A:GLN205 3.9 12.2 1.0 CG2 A:ILE197 4.0 11.8 1.0 CA A:SER204 4.1 11.1 1.0 C A:SER204 4.2 11.3 1.0 CA A:GLN205 4.2 12.0 1.0 CE A:MSE248 4.3 20.8 1.0 O A:LEU203 4.8 11.3 1.0 CG1 A:ILE197 4.8 12.7 1.0 OG A:SER204 4.8 11.1 1.0 N A:PHE206 4.9 11.4 1.0 CB A:SER204 5.0 11.9 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl1101 b:29.5 occ:1.00 O B:HOH1449 3.1 17.3 1.0 N B:GLN205 3.4 13.4 1.0 CB B:GLN205 3.9 14.0 1.0 CE B:MSE248 3.9 24.8 1.0 SE B:MSE248 3.9 27.2 0.8 CG2 B:ILE197 4.0 11.2 1.0 CA B:GLN205 4.2 14.0 1.0 CA B:SER204 4.2 14.3 1.0 C B:SER204 4.3 14.3 1.0 CG1 B:ILE197 4.8 11.8 1.0 CD1 B:ILE197 4.9 15.0 1.0 O B:LEU203 5.0 13.8 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.