Chlorine in PDB 1mws: Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution.

The structure of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution., PDB code: 1mws was solved by D.C.Lim, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.96 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.582, 100.747, 187.244, 90.00, 90.00, 90.00
R / Rfree (%)	23.4 / 27.4

The structure of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution. also contains other interesting chemical elements:

Cadmium

(Cd)

8 atoms

The binding sites of Chlorine atom in the Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution. (pdb code 1mws). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution., PDB code: 1mws:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1010 b:27.8 occ:1.00 CD A:CD1001 2.4 26.7 1.0 OG1 A:THR300 3.2 21.8 1.0 O A:HOH1016 3.3 23.9 1.0 OE2 B:GLU145 3.5 26.2 1.0 CG A:GLU145 3.7 25.8 1.0 OE1 A:GLU145 3.7 23.9 1.0 ND1 A:HIS143 3.8 25.1 1.0 CG2 A:VAL302 3.8 28.4 1.0 CD1 A:ILE309 4.0 28.8 1.0 CG1 A:ILE309 4.0 28.5 1.0 CB A:HIS143 4.0 23.6 1.0 CD A:GLU145 4.1 23.0 1.0 CB A:THR300 4.3 24.3 1.0 CG A:HIS143 4.3 25.0 1.0 CG2 A:THR300 4.4 21.4 1.0 CD B:GLU145 4.4 26.5 1.0 OE1 B:GLU145 4.5 24.0 1.0 CE1 A:HIS143 4.9 26.2 1.0

Chlorine binding site 2 out of 4 in the Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1011 b:31.1 occ:1.00 CD A:CD1005 2.5 29.0 1.0 O A:HOH1079 2.9 32.1 1.0 CG B:GLN207 3.5 40.3 1.0 NE2 A:GLN140 3.5 24.2 1.0 NE2 A:HIS311 3.5 27.5 1.0 O A:HOH1024 3.6 23.6 1.0 NE2 A:GLN137 3.6 33.0 1.0 CD A:GLN137 3.6 35.5 1.0 O A:HOH1159 3.7 40.5 1.0 O A:GLY135 3.7 26.9 1.0 CB A:ALA310 3.8 26.5 1.0 CG A:GLN137 3.8 33.7 1.0 OD1 B:ASP209 3.9 36.9 1.0 CD2 A:HIS311 3.9 27.3 1.0 CB B:GLN207 4.1 39.3 1.0 OE1 A:GLN137 4.1 33.2 1.0 CD A:GLN140 4.5 25.0 1.0 CE1 A:HIS311 4.5 28.7 1.0 CD B:GLN207 4.6 41.6 1.0 OE1 A:GLN140 4.6 26.3 1.0 CG B:ASP209 4.8 34.6 1.0 OG1 B:THR210 4.9 32.1 1.0 CA A:ALA310 4.9 29.0 1.0 OD2 B:ASP209 4.9 31.8 1.0 C A:GLY135 5.0 24.0 1.0 CB A:GLN137 5.0 32.4 1.0 OE1 B:GLN207 5.0 41.0 1.0

Chlorine binding site 3 out of 4 in the Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1009 b:24.8 occ:1.00 CD B:CD1002 2.5 26.5 1.0 OG1 B:THR300 3.2 22.7 1.0 NH1 B:ARG298 3.6 44.4 1.0 OE2 A:GLU145 3.7 24.3 1.0 O B:HOH1056 3.7 28.3 1.0 CG B:GLU145 3.7 22.8 1.0 OE1 B:GLU145 3.7 24.0 1.0 ND1 B:HIS143 3.7 22.9 1.0 CG2 B:VAL302 3.8 28.8 1.0 CD1 B:ILE309 3.8 33.0 1.0 CB B:HIS143 3.9 21.2 1.0 CG1 B:ILE309 4.0 30.7 1.0 CD B:GLU145 4.1 26.5 1.0 CB B:THR300 4.1 23.6 1.0 CG2 B:THR300 4.2 22.7 1.0 CG B:HIS143 4.2 24.8 1.0 CD A:GLU145 4.7 23.0 1.0 CE1 B:HIS143 4.8 24.7 1.0 OE1 A:GLU145 4.8 23.9 1.0 CZ B:ARG298 4.9 47.3 1.0

Chlorine binding site 4 out of 4 in the Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution.


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Nitrocefin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.00 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl1012 b:31.9 occ:1.00 CD A:CD1003 2.5 30.4 1.0 CD B:GLN137 3.4 40.9 1.0 NE2 B:GLN137 3.5 40.7 1.0 NE2 B:HIS311 3.5 27.9 1.0 NE2 B:GLN140 3.6 22.6 1.0 O B:HOH1082 3.6 33.8 1.0 CG B:GLN137 3.6 37.4 1.0 O B:GLY135 3.7 27.6 1.0 CG A:GLN207 3.7 41.7 1.0 OD2 A:ASP209 3.7 27.7 1.0 OE1 B:GLN137 3.8 39.9 1.0 CB B:ALA310 3.8 27.5 1.0 CD2 B:HIS311 3.9 26.8 1.0 CB A:GLN207 4.0 41.2 1.0 OE1 B:GLN140 4.4 29.6 1.0 CD B:GLN140 4.4 29.6 1.0 OD1 A:ASP209 4.6 32.9 1.0 CG A:ASP209 4.6 30.3 1.0 CE1 B:HIS311 4.6 27.0 1.0 OG1 A:THR210 4.8 34.5 1.0 CB B:GLN137 4.8 31.8 1.0 CD A:GLN207 4.8 44.6 1.0 C B:GLY135 4.9 25.0 1.0 CA B:ALA310 5.0 28.6 1.0

D.Lim, N.C.Strynadka. Structural Basis For the Beta Lactam Resistance of PBP2A From Methicillin-Resistant Staphylococcus Aureus. Nat.Struct.Biol. V. 9 870 2002.
ISSN: ISSN 1072-8368
PubMed: 12389036