Chlorine in PDB 2uwx: Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins

All present enzymatic activity of Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins:
2.4.1.129;

The structure of Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins, PDB code: 2uwx was solved by P.Macheboeuf, A.M.Diguilmi, V.Job, T.Vernet, O.Dideberg, A.Dessen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	81.65 / 2.39
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	97.520, 148.650, 98.020, 90.00, 90.00, 90.00
R / Rfree (%)	16.2 / 21.8

The binding sites of Chlorine atom in the Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins (pdb code 2uwx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins, PDB code: 2uwx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1792 b:41.0 occ:1.00 O A:HOH2285 3.2 37.5 1.0 N A:LYS610 3.3 28.3 1.0 NZ A:LYS610 3.7 42.4 1.0 CA A:SER609 3.8 27.1 1.0 CG A:LYS610 3.8 31.3 1.0 CB A:SER609 3.9 26.2 1.0 C A:SER609 4.1 27.1 1.0 CB A:LYS610 4.1 29.5 1.0 CD A:GLN606 4.2 31.0 1.0 CA A:LYS610 4.3 29.4 1.0 NE2 A:GLN606 4.3 27.9 1.0 CG A:GLN606 4.4 28.7 1.0 CE A:LYS610 4.5 41.6 1.0 OE1 A:GLN606 4.6 31.5 1.0 CD A:LYS610 4.7 33.0 1.0

Chlorine binding site 2 out of 2 in the Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1793 b:32.1 occ:0.50 OG A:SER634 2.9 22.0 1.0 O A:HOH2249 3.4 32.6 1.0 CB A:SER634 3.7 20.6 1.0 CB A:THR631 3.9 20.1 1.0 CG2 A:THR631 4.0 21.1 1.0 CA A:THR631 4.1 20.6 1.0 CD A:ARG627 4.1 32.3 1.0 NE A:ARG627 4.4 35.4 1.0 O A:THR631 4.5 20.6 1.0 CG A:ARG627 4.6 26.8 1.0 OH A:TYR690 4.8 24.3 1.0 CB A:ARG627 4.8 25.1 1.0 C A:THR631 4.8 19.9 1.0

P.Macheboeuf, A.M.Di Guilmi, V.Job, T.Vernet, O.Dideberg, A.Dessen. Active Site Restructuring Regulates Ligand Recognition in Class A Penicillin-Binding Proteins Proc.Natl.Acad.Sci.Usa V. 102 577 2005.
ISSN: ISSN 0027-8424
PubMed: 15637155
DOI: 10.1073/PNAS.0407186102