Chlorine in PDB 2xd5: Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B

All present enzymatic activity of Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B:
2.4.1.129;

The structure of Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B, PDB code: 2xd5 was solved by P.Macheboeuf, D.Lemaire, M.Jamin, O.Dideberg, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.05 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	96.800, 101.100, 145.000, 90.00, 90.00, 90.00
R / Rfree (%)	18.1 / 23.3

The binding sites of Chlorine atom in the Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B (pdb code 2xd5). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B, PDB code: 2xd5:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1793 b:21.7 occ:1.00 OG B:SER634 2.9 18.9 1.0 OG A:SER634 3.1 24.4 1.0 CB B:SER634 3.6 16.0 1.0 CG B:ARG627 3.8 23.8 1.0 CB A:SER634 3.8 20.0 1.0 CB A:THR631 3.8 20.7 1.0 CG2 A:THR631 3.9 16.6 1.0 CG2 B:THR631 4.0 19.6 1.0 CA A:THR631 4.0 20.5 1.0 CB B:THR631 4.0 19.6 1.0 CA B:THR631 4.1 19.4 1.0 CB B:ARG627 4.3 20.9 1.0 CD A:ARG627 4.3 22.1 1.0 CB A:ARG627 4.5 21.7 1.0 O A:THR631 4.6 22.3 1.0 NE B:ARG627 4.6 23.2 1.0 O B:THR631 4.6 19.9 1.0 CD B:ARG627 4.7 25.4 1.0 CG A:ARG627 4.7 20.9 1.0 OH A:TYR690 4.7 22.2 1.0 NE A:ARG627 4.7 21.0 1.0 C A:THR631 4.8 21.2 1.0 C B:THR631 4.9 20.3 1.0 OH B:TYR690 4.9 23.8 1.0 CA B:SER634 5.0 16.1 1.0

Chlorine binding site 2 out of 2 in the Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1794 b:46.6 occ:1.00 NZ A:LYS633 3.3 28.3 1.0 NH1 A:ARG627 3.6 24.7 1.0 CB A:SER625 3.7 21.3 1.0 CE A:LYS633 3.9 31.3 1.0 NH2 A:ARG627 3.9 25.3 1.0 CZ A:ARG627 4.3 24.0 1.0 O A:HOH2073 4.3 26.9 1.0 CA A:SER625 4.6 20.9 1.0 OG A:SER625 4.8 20.6 1.0

P.Macheboeuf, D.Lemaire, M.Jamin, O.Dideberg, A.Dessen. Structural Insights Into the Catalytic Mechanism and the Role of Streptococcus Pneumoniae PBP1B To Be Published.