Chlorine in PDB 1mwu: Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution.

The structure of Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution., PDB code: 1mwu 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)	24.68 / 2.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	80.672, 103.210, 186.494, 90.00, 90.00, 90.00
R / Rfree (%)	24.2 / 30.3

The structure of Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution. also contains other interesting chemical elements:

Cadmium

(Cd)

5 atoms

The binding sites of Chlorine atom in the Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution. (pdb code 1mwu). 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 Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution., PDB code: 1mwu:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 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 Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:40.1 occ:1.00 CD A:CD702 2.5 42.6 1.0 O A:HOH811 3.1 23.1 1.0 OG1 A:THR300 3.2 43.9 1.0 OE1 B:GLU145 3.4 39.7 1.0 CG A:GLU145 3.6 43.0 1.0 OE2 A:GLU145 3.8 46.3 1.0 CD1 A:ILE309 3.9 51.0 1.0 CG1 A:ILE309 4.0 48.6 1.0 ND1 A:HIS143 4.0 45.5 1.0 CG2 A:VAL302 4.1 38.5 1.0 CD A:GLU145 4.2 44.0 1.0 CB A:HIS143 4.2 42.2 1.0 CB A:THR300 4.3 42.0 1.0 CG2 A:THR300 4.5 36.2 1.0 CD B:GLU145 4.6 46.8 1.0 CG A:HIS143 4.6 48.9 1.0 CB A:GLU145 5.0 38.8 1.0 OE2 B:GLU145 5.0 39.2 1.0

Chlorine binding site 2 out of 4 in the Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 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 Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl705 b:38.7 occ:1.00 CD B:CD702 2.3 46.1 1.0 O A:HOH819 2.9 27.7 1.0 OG1 B:THR300 3.2 43.6 1.0 CG B:GLU145 3.3 44.5 1.0 ND1 B:HIS143 3.5 35.5 1.0 OE1 A:GLU145 3.5 33.2 1.0 OE2 B:GLU145 3.5 39.2 1.0 CD B:GLU145 3.7 46.8 1.0 CG2 B:VAL302 3.9 48.2 1.0 CB B:HIS143 3.9 34.2 1.0 CD1 B:ILE309 4.1 53.7 1.0 CG B:HIS143 4.1 40.7 1.0 CG1 B:ILE309 4.1 47.4 1.0 CB B:THR300 4.3 35.2 1.0 CD A:GLU145 4.4 44.0 1.0 CG2 B:THR300 4.6 34.1 1.0 CE1 B:HIS143 4.6 45.4 1.0 OE2 A:GLU145 4.7 46.3 1.0 CB B:GLU145 4.7 41.0 1.0 OE1 B:GLU145 4.8 39.7 1.0 CD B:ARG298 4.8 52.6 1.0

Chlorine binding site 3 out of 4 in the Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 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 Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl706 b:40.3 occ:1.00 CD B:CD703 2.4 46.3 1.0 NE2 B:GLN137 3.2 60.7 1.0 NE2 B:HIS311 3.3 45.2 1.0 O B:GLY135 3.6 32.3 1.0 CD B:GLN137 3.8 59.7 1.0 CD2 B:HIS311 3.8 39.3 1.0 CG A:GLN207 3.8 47.4 1.0 NE2 B:GLN140 3.9 40.6 1.0 OD2 A:ASP209 3.9 46.9 1.0 CB B:ALA310 4.0 28.5 1.0 CB A:GLN207 4.2 49.6 1.0 OE1 B:GLN140 4.2 46.4 1.0 OE1 B:GLN137 4.2 59.2 1.0 CE1 B:HIS311 4.3 39.9 1.0 CD B:GLN140 4.5 40.0 1.0 CG B:GLN137 4.5 54.8 1.0 OD1 A:ASP209 4.6 50.8 1.0 OG1 A:THR210 4.6 46.2 1.0 CG A:ASP209 4.7 47.7 1.0 CB B:GLN137 4.8 45.8 1.0 C B:GLY135 4.8 38.8 1.0 CG B:HIS311 4.9 34.5 1.0 CD A:GLN207 4.9 55.2 1.0 O B:ALA310 4.9 41.5 1.0 CA B:ALA310 5.0 35.3 1.0

Chlorine binding site 4 out of 4 in the Structure of Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 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 Methicillin Acyl-Penicillin Binding Protein 2A From Methicillin Resistant Staphylococcus Aureus Strain 27R at 2.60 A Resolution. within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl707 b:47.3 occ:1.00 CD A:CD703 2.4 54.4 1.0 CG B:GLN207 3.5 59.4 1.0 NE2 A:HIS311 3.5 46.2 1.0 O A:GLY135 3.6 45.3 1.0 OD1 B:ASP209 3.6 56.0 1.0 CD A:GLN137 3.8 50.6 1.0 NE2 A:GLN137 3.8 44.1 1.0 NE2 A:GLN140 3.9 42.5 1.0 CG A:GLN137 3.9 49.6 1.0 CD2 A:HIS311 4.0 42.9 1.0 CB B:GLN207 4.0 58.3 1.0 OG1 B:THR210 4.0 72.0 1.0 CB A:ALA310 4.0 48.0 1.0 OE1 A:GLN137 4.2 46.1 1.0 CD B:GLN207 4.4 59.4 1.0 CG B:ASP209 4.4 56.5 1.0 OD2 B:ASP209 4.5 56.5 1.0 CE1 A:HIS311 4.5 38.1 1.0 OE1 B:GLN207 4.7 49.8 1.0 OE1 A:GLN140 4.7 45.3 1.0 C A:GLY135 4.7 42.4 1.0 CD A:GLN140 4.8 44.2 1.0 O A:ALA310 5.0 40.4 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