Cadmium 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:

Chlorine

(Cl)

4 atoms

The binding sites of Cadmium 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 Cadmium atom.
In total 5 binding sites of Cadmium 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 Cadmium binding site number: 1; 2; 3; 4; 5;

Cadmium binding site 1 out of 5 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 Cadmium with other atoms in the Cd 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:Cd702 b:42.6 occ:1.00 O A:HOH811 1.9 23.1 1.0 OE1 B:GLU145 2.0 39.7 1.0 OE2 A:GLU145 2.2 46.3 1.0 ND1 A:HIS143 2.4 45.5 1.0 CL A:CL704 2.5 40.1 1.0 OE2 B:GLU145 2.6 39.2 1.0 CD B:GLU145 2.6 46.8 1.0 CD A:GLU145 3.0 44.0 1.0 CG A:HIS143 3.3 48.9 1.0 CE1 A:HIS143 3.4 49.1 1.0 CG A:GLU145 3.5 43.0 1.0 CD B:CD702 3.6 46.1 1.0 CB A:HIS143 3.6 42.2 1.0 OE1 A:GLU145 3.9 33.2 1.0 CG B:GLU145 4.1 44.5 1.0 OD1 A:ASN307 4.3 49.6 1.0 ND1 B:HIS143 4.4 35.5 1.0 CG2 A:VAL302 4.5 38.5 1.0 NE2 A:HIS143 4.5 46.4 1.0 CD2 A:HIS143 4.5 48.0 1.0 CG B:HIS143 4.8 40.7 1.0 CE1 B:HIS143 4.8 45.4 1.0 OG1 A:THR300 4.8 43.9 1.0 CB B:GLU145 4.8 41.0 1.0 O A:HOH819 5.0 27.7 1.0 CB A:GLU145 5.0 38.8 1.0

Cadmium binding site 2 out of 5 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 Cadmium with other atoms in the Cd 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 A:Cd703 b:54.4 occ:1.00 OD2 B:ASP209 2.2 56.5 1.0 O A:GLY135 2.2 45.3 1.0 NE2 A:HIS311 2.4 46.2 1.0 OD1 B:ASP209 2.4 56.0 1.0 CL B:CL707 2.4 47.3 1.0 CG B:ASP209 2.6 56.5 1.0 C A:GLY135 3.1 42.4 1.0 CD2 A:HIS311 3.2 42.9 1.0 CA A:GLY135 3.3 33.1 1.0 CE1 A:HIS311 3.4 38.1 1.0 CB B:ASP209 4.1 53.2 1.0 N A:MET136 4.4 42.9 1.0 CG A:HIS311 4.4 42.1 1.0 CG A:GLN137 4.4 49.6 1.0 ND1 A:HIS311 4.5 41.2 1.0 NE2 A:GLN137 4.6 44.1 1.0 N A:GLY135 4.7 42.5 1.0 CD A:GLN137 4.8 50.6 1.0 OG1 B:THR210 4.9 72.0 1.0 CB B:GLN207 4.9 58.3 1.0 CA A:MET136 5.0 48.4 1.0 C B:ASP209 5.0 59.1 1.0 CA B:ASP209 5.0 58.8 1.0

Cadmium binding site 3 out of 5 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 Cadmium with other atoms in the Cd 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:Cd702 b:46.1 occ:1.00 O A:HOH819 1.9 27.7 1.0 OE2 B:GLU145 2.2 39.2 1.0 OE1 A:GLU145 2.3 33.2 1.0 CL B:CL705 2.3 38.7 1.0 ND1 B:HIS143 2.3 35.5 1.0 OE2 A:GLU145 2.5 46.3 1.0 CD A:GLU145 2.7 44.0 1.0 CD B:GLU145 2.7 46.8 1.0 CE1 B:HIS143 3.2 45.4 1.0 CG B:HIS143 3.3 40.7 1.0 CG B:GLU145 3.3 44.5 1.0 OE1 B:GLU145 3.4 39.7 1.0 CD A:CD702 3.6 42.6 1.0 CB B:HIS143 3.7 34.2 1.0 CG A:GLU145 4.2 43.0 1.0 NE2 B:HIS143 4.3 44.2 1.0 ND1 A:HIS143 4.3 45.5 1.0 OD1 B:ASN307 4.4 52.7 1.0 CD2 B:HIS143 4.4 40.1 1.0 CG2 B:VAL302 4.4 48.2 1.0 CB B:GLU145 4.7 41.0 1.0 CG A:HIS143 4.8 48.9 1.0 OG1 B:THR300 4.8 43.6 1.0 CE1 A:HIS143 4.9 49.1 1.0 O A:HOH811 4.9 23.1 1.0 CB A:HIS143 5.0 42.2 1.0

Cadmium binding site 4 out of 5 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 Cadmium with other atoms in the Cd 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:Cd704 b:80.2 occ:0.54 OD2 B:ASP573 2.3 66.2 1.0 OD1 B:ASP573 2.7 75.0 1.0 OD1 B:ASN569 2.7 90.2 1.0 CG B:ASP573 2.9 70.4 1.0 ND2 B:ASN569 3.4 91.3 1.0 CG B:ASN569 3.4 87.1 1.0 CB B:ASP573 4.4 65.4 1.0 NZ B:LYS456 4.8 83.9 1.0 O B:ASN569 4.8 66.9 1.0 CB B:ASN569 4.9 81.8 1.0

Cadmium binding site 5 out of 5 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 Cadmium with other atoms in the Cd binding site number 5 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:Cd703 b:46.3 occ:1.00 NE2 B:HIS311 2.1 45.2 1.0 OD1 A:ASP209 2.3 50.8 1.0 O B:GLY135 2.3 32.3 1.0 OD2 A:ASP209 2.4 46.9 1.0 CL B:CL706 2.4 40.3 1.0 CG A:ASP209 2.7 47.7 1.0 CD2 B:HIS311 3.1 39.3 1.0 CE1 B:HIS311 3.1 39.9 1.0 C B:GLY135 3.3 38.8 1.0 NE2 B:GLN137 3.4 60.7 1.0 CA B:GLY135 3.5 32.2 1.0 CB A:ASP209 4.2 42.0 1.0 ND1 B:HIS311 4.2 36.5 1.0 CG B:HIS311 4.3 34.5 1.0 CD B:GLN137 4.4 59.7 1.0 N B:MET136 4.5 30.2 1.0 CG B:GLN137 4.8 54.8 1.0 CB A:GLN207 4.8 49.6 1.0 N B:GLY135 4.9 40.7 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