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

Protein crystallography data

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

Cadmium Binding Sites:

The binding sites of Cadmium 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 Cadmium atom.
In total 8 binding sites of Cadmium 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 Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Cadmium binding site 1 out of 8 in 1mws

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Cadmium binding site 1 out of 8 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 Cadmium with other atoms in the Cd 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:Cd1001

b:26.7
occ:1.00
O A:HOH1016 2.2 23.9 1.0
OE1 A:GLU145 2.3 23.9 1.0
ND1 A:HIS143 2.3 25.1 1.0
OE1 B:GLU145 2.4 24.0 1.0
CL A:CL1010 2.4 27.8 1.0
OE2 B:GLU145 2.4 26.2 1.0
CD B:GLU145 2.7 26.5 1.0
CD A:GLU145 3.1 23.0 1.0
CE1 A:HIS143 3.2 26.2 1.0
CG A:HIS143 3.3 25.0 1.0
CB A:HIS143 3.6 23.6 1.0
CG A:GLU145 3.7 25.8 1.0
CD B:CD1002 3.7 26.5 1.0
OE2 A:GLU145 3.9 24.3 1.0
CG B:GLU145 4.2 22.8 1.0
ND1 B:HIS143 4.2 22.9 1.0
OD1 A:ASN307 4.4 32.8 1.0
CG2 A:VAL302 4.4 28.4 1.0
NE2 A:HIS143 4.4 25.6 1.0
CD2 A:HIS143 4.5 25.4 1.0
CE1 B:HIS143 4.7 24.7 1.0
O B:ILE144 4.7 28.0 1.0
OG1 A:THR300 4.8 21.8 1.0
CG B:HIS143 4.8 24.8 1.0

Cadmium binding site 2 out of 8 in 1mws

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Cadmium binding site 2 out of 8 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 Cadmium with other atoms in the Cd 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:Cd1003

b:30.4
occ:1.00
OD1 A:ASP209 2.2 32.9 1.0
O B:GLY135 2.2 27.6 1.0
OD2 A:ASP209 2.3 27.7 1.0
NE2 B:HIS311 2.3 27.9 1.0
O B:HOH1082 2.3 33.8 1.0
CL B:CL1012 2.5 31.9 1.0
CG A:ASP209 2.5 30.3 1.0
C B:GLY135 3.2 25.0 1.0
CD2 B:HIS311 3.2 26.8 1.0
CE1 B:HIS311 3.3 27.0 1.0
CA B:GLY135 3.6 25.8 1.0
NE2 B:GLN137 4.0 40.7 1.0
CB A:ASP209 4.1 31.4 1.0
CG B:GLN137 4.1 37.4 1.0
CD B:GLN137 4.3 40.9 1.0
CG B:HIS311 4.4 27.9 1.0
ND1 B:HIS311 4.4 27.2 1.0
N B:MET136 4.4 25.4 1.0
CB A:GLN207 4.8 41.2 1.0
N B:GLY135 5.0 25.8 1.0
CA A:ASP209 5.0 32.6 1.0
CA B:MET136 5.0 26.6 1.0

Cadmium binding site 3 out of 8 in 1mws

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Cadmium binding site 3 out of 8 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 Cadmium with other atoms in the Cd 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
A:Cd1004

b:50.9
occ:1.00
NE2 A:HIS232 2.5 46.7 1.0
O A:HOH1160 2.8 39.0 1.0
O A:HOH1149 2.9 48.6 1.0
CD2 A:HIS232 3.2 46.0 1.0
CE1 A:HIS232 3.6 47.4 1.0
O A:LYS230 4.2 49.3 1.0
CG A:HIS232 4.5 46.6 1.0
ND1 A:HIS232 4.6 47.3 1.0
O A:LYS229 4.6 52.4 1.0

Cadmium binding site 4 out of 8 in 1mws

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Cadmium binding site 4 out of 8 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 Cadmium with other atoms in the Cd 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
A:Cd1005

b:29.0
occ:1.00
O A:GLY135 2.2 26.9 1.0
O A:HOH1024 2.3 23.6 1.0
NE2 A:HIS311 2.3 27.5 1.0
OD1 B:ASP209 2.4 36.9 1.0
OD2 B:ASP209 2.5 31.8 1.0
CL A:CL1011 2.5 31.1 1.0
CG B:ASP209 2.8 34.6 1.0
CD2 A:HIS311 3.2 27.3 1.0
C A:GLY135 3.3 24.0 1.0
CE1 A:HIS311 3.4 28.7 1.0
CA A:GLY135 3.7 23.4 1.0
O A:HOH1079 4.0 32.1 1.0
NE2 A:GLN137 4.3 33.0 1.0
CB B:ASP209 4.3 33.7 1.0
CG A:GLN137 4.4 33.7 1.0
CG A:HIS311 4.4 28.1 1.0
ND1 A:HIS311 4.4 29.4 1.0
N A:MET136 4.5 24.4 1.0
CD A:GLN137 4.7 35.5 1.0
CB B:GLN207 4.8 39.3 1.0
CA A:MET136 5.0 25.7 1.0

Cadmium binding site 5 out of 8 in 1mws

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Cadmium binding site 5 out of 8 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 Cadmium with other atoms in the Cd binding site number 5 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:Cd1008

b:0.9
occ:1.00
OD2 A:ASP320 2.4 34.8 1.0
OE2 B:GLU150 2.9 46.1 1.0
CG A:ASP320 3.4 32.8 1.0
O A:HOH1182 3.4 55.3 1.0
CB A:ASP320 3.7 33.0 1.0
CD B:GLU150 3.8 45.4 1.0
OE1 B:GLU150 4.1 49.8 1.0
NZ A:LYS318 4.2 46.6 1.0
CE A:LYS318 4.2 43.3 1.0
OD1 A:ASP320 4.5 33.6 1.0
O A:HOH1172 4.5 45.5 1.0

Cadmium binding site 6 out of 8 in 1mws

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Cadmium binding site 6 out of 8 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 Cadmium with other atoms in the Cd binding site number 6 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:Cd1002

b:26.5
occ:1.00
OE1 B:GLU145 2.1 24.0 1.0
ND1 B:HIS143 2.2 22.9 1.0
OE2 A:GLU145 2.4 24.3 1.0
O B:HOH1056 2.4 28.3 1.0
CL B:CL1009 2.5 24.8 1.0
OE1 A:GLU145 2.5 23.9 1.0
CD A:GLU145 2.8 23.0 1.0
CD B:GLU145 3.0 26.5 1.0
CE1 B:HIS143 3.1 24.7 1.0
CG B:HIS143 3.2 24.8 1.0
CB B:HIS143 3.6 21.2 1.0
CG B:GLU145 3.6 22.8 1.0
CD A:CD1001 3.7 26.7 1.0
OE2 B:GLU145 3.9 26.2 1.0
NE2 B:HIS143 4.2 29.1 1.0
ND1 A:HIS143 4.3 25.1 1.0
CG A:GLU145 4.3 25.8 1.0
CD2 B:HIS143 4.3 26.6 1.0
CG2 B:VAL302 4.4 28.8 1.0
OD1 B:ASN307 4.6 34.7 1.0
CE1 A:HIS143 4.8 26.2 1.0
OG1 B:THR300 4.8 22.7 1.0
CG A:HIS143 4.9 25.0 1.0
O A:ILE144 4.9 32.7 1.0

Cadmium binding site 7 out of 8 in 1mws

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Cadmium binding site 7 out of 8 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 Cadmium with other atoms in the Cd binding site number 7 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:Cd1006

b:65.8
occ:1.00
O B:HOH1140 2.5 36.1 1.0
NE2 B:HIS232 2.6 45.4 1.0
CE1 B:HIS232 3.5 44.8 1.0
CD2 B:HIS232 3.6 43.8 1.0
ND1 B:HIS232 4.6 45.2 1.0
CG B:HIS232 4.7 44.4 1.0

Cadmium binding site 8 out of 8 in 1mws

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Cadmium binding site 8 out of 8 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 Cadmium with other atoms in the Cd binding site number 8 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:Cd1007

b:52.8
occ:1.00
O B:HOH1027 2.1 22.9 1.0
OD2 B:ASP573 2.2 33.4 1.0
O B:HOH1137 2.6 37.7 1.0
O B:HOH1036 2.7 27.1 1.0
OD1 B:ASP573 2.7 32.0 1.0
OD1 B:ASN569 2.7 40.7 1.0
CG B:ASP573 2.8 34.4 1.0
ND2 B:ASN569 3.3 37.9 1.0
CG B:ASN569 3.4 40.4 1.0
O B:HOH1192 3.6 38.9 1.0
O B:HOH1109 3.8 35.4 1.0
CB B:ASP573 4.3 33.9 1.0
NZ B:LYS456 4.5 41.9 1.0
O B:ASN569 4.5 33.9 1.0
CB B:ASN569 4.8 37.5 1.0

Reference:

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
Page generated: Fri Aug 28 12:13:49 2020
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