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Cadmium in PDB 4cpk: Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa

Enzymatic activity of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa

All present enzymatic activity of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa:
3.4.16.4;

Protein crystallography data

The structure of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa, PDB code: 4cpk was solved by L.H.Otero, A.Rojas-Altuve, J.A.Hermoso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.64 / 2.35
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 81.437, 101.637, 186.838, 90.00, 90.00, 90.00
R / Rfree (%) 18.16 / 23.08

Other elements in 4cpk:

The structure of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Cadmium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 11;

Binding sites:

The binding sites of Cadmium atom in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa (pdb code 4cpk). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 11 binding sites of Cadmium where determined in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa, PDB code: 4cpk:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 11 in 4cpk

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Cadmium binding site 1 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


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Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1670

b:34.2
occ:1.00
 OE2 B:GLU145 2.1 93.2 1.0
ND1 A:HIS143 2.3 34.5 1.0
CL A:CL1677 2.5 35.2 1.0
CD B:GLU145 2.7 78.7 1.0
OE1 B:GLU145 2.8 35.4 1.0
CE1 A:HIS143 3.2 34.9 1.0
CG A:HIS143 3.4 32.7 1.0
CB A:HIS143 3.7 29.2 1.0
OE2 A:GLU145 3.8 97.3 1.0
CG A:GLU145 3.9 44.3 1.0
CD B:CD1671 3.9 33.5 1.0
CG B:GLU145 4.1 50.6 1.0
CD A:GLU145 4.1 80.2 1.0
CG2 A:VAL302 4.3 36.3 1.0
NE2 A:HIS143 4.4 36.0 1.0
ND1 B:HIS143 4.4 29.4 1.0
O B:HOH2071 4.5 43.1 1.0
CD2 A:HIS143 4.5 36.0 1.0
O B:ILE144 4.6 37.3 1.0
OD1 A:ASN307 4.6 32.7 1.0
OG1 A:THR300 4.8 26.0 1.0
CE1 B:HIS143 4.8 29.3 1.0
CG B:HIS143 4.9 28.5 1.0
OE1 A:GLU145 5.0 49.2 1.0

Cadmium binding site 2 out of 11 in 4cpk

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Cadmium binding site 2 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


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Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1671

b:84.7
occ:1.00
 NE2 A:HIS232 2.5 73.4 1.0
CE1 A:HIS232 2.7 72.9 1.0
CD2 A:HIS232 3.8 71.3 1.0
ND1 A:HIS232 3.9 71.4 1.0
O A:LYS230 4.2 75.0 1.0
O A:LYS229 4.4 75.2 1.0
CG A:HIS232 4.5 67.9 1.0

Cadmium binding site 3 out of 11 in 4cpk

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Cadmium binding site 3 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1672

b:39.2
occ:1.00
 NE2 A:HIS311 2.2 33.0 1.0
OD1 B:ASP209 2.4 39.3 1.0
OD2 B:ASP209 2.4 45.3 1.0
O A:GLY135 2.5 32.8 1.0
CL A:CL1678 2.6 35.8 1.0
CG B:ASP209 2.7 41.7 1.0
O A:HOH2089 2.7 20.4 1.0
CE1 A:HIS311 3.1 33.0 1.0
CD2 A:HIS311 3.3 33.1 1.0
C A:GLY135 3.4 33.7 1.0
CA A:GLY135 3.7 29.5 1.0
O A:HOH2207 4.0 41.7 1.0
CB B:ASP209 4.2 41.3 1.0
ND1 A:HIS311 4.3 33.6 1.0
NE2 A:GLN137 4.4 45.1 1.0
CG A:HIS311 4.4 32.1 1.0
CG A:GLN137 4.6 46.0 1.0
O B:HOH2113 4.7 50.1 1.0
N A:MET136 4.7 31.5 1.0
NH2 A:ARG110 4.7 73.0 1.0
CD A:GLN137 4.8 58.6 1.0
CB B:GLN207 4.9 48.3 1.0
O A:HOH2073 5.0 34.1 1.0

Cadmium binding site 4 out of 11 in 4cpk

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Cadmium binding site 4 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1673

b:0.2
occ:1.00
 OE1 B:GLU239 2.6 50.6 1.0
OE2 B:GLU239 2.7 56.6 1.0
CD B:GLU239 3.0 62.6 1.0
NZ B:LYS150 3.0 59.5 1.0
CE B:LYS150 3.7 62.4 1.0
O A:HOH2213 4.0 43.5 1.0
CG B:GLU239 4.5 42.5 1.0
CE A:LYS318 5.0 73.7 1.0

Cadmium binding site 5 out of 11 in 4cpk

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Cadmium binding site 5 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


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Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1674

b:0.7
occ:1.00
 OE1 A:GLU379 2.7 64.2 1.0
OE2 A:GLU379 2.7 68.6 1.0
CD A:GLU379 3.0 72.6 1.0
NZ A:LYS215 3.6 59.0 1.0
O A:HOH2144 4.1 40.9 1.0
OG A:SER191 4.2 56.0 1.0
CG A:GLU379 4.5 52.3 1.0
CA A:MET375 4.8 40.6 1.0
CB A:SER191 4.9 56.1 1.0
N A:SER376 4.9 47.8 1.0
O A:GLY374 5.0 44.6 1.0

Cadmium binding site 6 out of 11 in 4cpk

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Cadmium binding site 6 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1675

b:0.5
occ:1.00
 OD1 A:ASP420 2.4 53.7 1.0
OD2 A:ASP420 2.7 60.7 1.0
CG A:ASP420 2.9 53.9 1.0
OG1 A:THR423 4.1 54.9 1.0
CB A:LYS422 4.2 43.7 1.0
N A:THR423 4.2 41.1 1.0
CB A:ASP420 4.4 42.9 1.0
C A:LYS422 4.4 44.4 1.0
CA A:THR423 4.7 41.0 1.0
CA A:LYS422 4.7 41.5 1.0
N A:LYS422 4.8 41.8 1.0
CG A:LYS422 4.8 60.2 1.0
CB A:THR423 5.0 48.8 1.0
O A:LYS422 5.0 43.6 1.0

Cadmium binding site 7 out of 11 in 4cpk

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Cadmium binding site 7 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1676

b:0.7
occ:1.00
 OE1 A:GLU239 2.7 49.1 1.0
OE2 A:GLU239 2.9 62.2 1.0
NZ A:LYS150 3.1 83.4 1.0
CD A:GLU239 3.1 57.7 1.0
O A:HOH2397 3.5 41.9 1.0
CE A:LYS150 3.8 75.8 1.0
O B:HOH2182 3.8 28.1 1.0
O A:HOH2097 3.9 46.4 1.0
CG A:GLU239 4.7 36.9 1.0
O A:HOH2165 4.7 58.7 1.0
CE B:LYS318 4.9 56.7 1.0

Cadmium binding site 8 out of 11 in 4cpk

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Cadmium binding site 8 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1669

b:35.9
occ:1.00
 OD1 A:ASP209 2.3 41.0 1.0
OD2 A:ASP209 2.3 43.0 1.0
NE2 B:HIS311 2.3 34.6 1.0
O B:GLY135 2.4 33.0 1.0
CG A:ASP209 2.6 42.0 1.0
CL B:CL1675 2.6 33.5 1.0
CE1 B:HIS311 3.3 34.3 1.0
CD2 B:HIS311 3.3 34.2 1.0
C B:GLY135 3.4 33.1 1.0
CA B:GLY135 3.8 31.8 1.0
CB A:ASP209 4.1 40.0 1.0
O A:HOH2138 4.2 50.5 1.0
NE2 B:GLN137 4.2 44.9 1.0
CG B:GLN137 4.2 48.9 1.0
CD B:GLN137 4.5 59.3 1.0
CG B:HIS311 4.5 32.3 1.0
ND1 B:HIS311 4.5 34.4 1.0
N B:MET136 4.6 29.1 1.0
CB A:GLN207 4.8 44.5 1.0
CA A:ASP209 5.0 39.8 1.0

Cadmium binding site 9 out of 11 in 4cpk

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Cadmium binding site 9 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1671

b:33.5
occ:1.00
 OE2 A:GLU145 2.1 97.3 1.0
ND1 B:HIS143 2.3 29.4 1.0
CL B:CL1674 2.6 36.7 1.0
CD A:GLU145 2.7 80.2 1.0
OE1 A:GLU145 2.9 49.2 1.0
CE1 B:HIS143 3.2 29.3 1.0
CG B:HIS143 3.3 28.5 1.0
CB B:HIS143 3.6 26.2 1.0
OE2 B:GLU145 3.7 93.2 1.0
CG B:GLU145 3.8 50.6 1.0
CD B:GLU145 3.8 78.7 1.0
CD A:CD1670 3.9 34.2 1.0
CG A:GLU145 4.0 44.3 1.0
CG2 B:VAL302 4.3 31.7 1.0
ND1 A:HIS143 4.3 34.5 1.0
NE2 B:HIS143 4.4 30.5 1.0
CD2 B:HIS143 4.5 30.6 1.0
OE1 B:GLU145 4.5 35.4 1.0
OD1 B:ASN307 4.7 36.6 1.0
O A:ILE144 4.7 42.1 1.0
CE1 A:HIS143 4.8 34.9 1.0
OG1 B:THR300 4.8 33.0 1.0
CG A:HIS143 4.9 32.7 1.0

Cadmium binding site 10 out of 11 in 4cpk

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Cadmium binding site 10 out of 11 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1672

b:86.7
occ:1.00
 CE1 B:HIS232 2.6 71.5 1.0
NE2 B:HIS232 2.7 71.0 1.0
O B:HOH2348 2.8 30.0 1.0
O B:HOH2129 3.2 54.3 1.0
ND1 B:HIS232 3.8 70.0 1.0
CD2 B:HIS232 3.9 68.7 1.0
CG B:HIS232 4.4 65.6 1.0
O B:HOH2128 4.7 48.1 1.0

Reference:

J.Fishovitz, A.Rojas-Altuve, L.H.Otero, M.Dawley, C.Carrasco-Lopez, M.Chang, J.A.Hermoso, S.Mobashery. Disruption of Allosteric Response As An Unprecedented Mechanism of Resistance to Antibiotics. J.Am.Chem.Soc. V. 136 9814 2014.
ISSN: ISSN 0002-7863
PubMed: 24955778
DOI: 10.1021/JA5030657
Page generated: Fri Jul 19 17:08:43 2024

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