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Cadmium in PDB 3zg0: Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization

Enzymatic activity of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization

All present enzymatic activity of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization:
3.4.16.4;

Protein crystallography data

The structure of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization, PDB code: 3zg0 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) 63.48 / 2.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.760, 102.670, 187.180, 90.00, 90.00, 90.00
R / Rfree (%) 18.23 / 26.78

Other elements in 3zg0:

The structure of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization also contains other interesting chemical elements:

Chlorine (Cl) 4 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization (pdb code 3zg0). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 8 binding sites of Cadmium where determined in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization, PDB code: 3zg0:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Cadmium binding site 1 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 1 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1670

b:59.2
occ:1.00
 OE1 B:GLU145 2.1 45.2 1.0
OE2 A:GLU145 2.2 44.9 1.0
CL A:CL1674 2.3 47.2 1.0
ND1 A:HIS143 2.4 62.2 1.0
OE2 B:GLU145 2.7 32.5 1.0
CD B:GLU145 2.7 62.1 1.0
CD A:GLU145 3.2 62.0 1.0
CE1 A:HIS143 3.3 62.6 1.0
CG A:HIS143 3.5 60.8 1.0
OD1 A:ASN307 3.6 68.5 1.0
CB A:HIS143 3.8 56.5 1.0
OE1 A:GLU145 3.9 45.8 1.0
CD B:CD1671 3.9 54.1 1.0
CG A:GLU145 4.1 60.0 1.0
CG2 A:VAL302 4.2 58.8 1.0
CG B:GLU145 4.2 56.5 1.0
ND1 B:HIS143 4.2 54.2 1.0
C20 B:1W81676 4.4 0.5 1.0
O B:ILE144 4.5 50.2 1.0
NE2 A:HIS143 4.5 64.2 1.0
CD2 A:HIS143 4.6 64.5 1.0
CE1 B:HIS143 4.7 54.6 1.0
CG B:HIS143 4.7 52.3 1.0
C18 B:1W81676 4.8 0.9 1.0
CB B:GLU145 4.8 44.2 1.0
CG A:ASN307 4.9 82.0 1.0
CG1 A:VAL302 4.9 57.6 1.0
CB A:VAL302 5.0 59.2 1.0

Cadmium binding site 2 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 2 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1671

b:0.7
occ:1.00
 NE2 A:HIS232 2.3 92.1 1.0
CE1 A:HIS232 3.2 92.6 1.0
CD2 A:HIS232 3.3 90.1 1.0
ND1 A:HIS232 4.4 91.3 1.0
CG A:HIS232 4.4 87.5 1.0
O A:LYS229 5.0 89.8 1.0

Cadmium binding site 3 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 3 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


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 Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1672

b:72.7
occ:1.00
 NE2 A:HIS311 2.2 73.5 1.0
OD1 B:ASP209 2.3 77.3 1.0
CL A:CL1675 2.4 74.5 1.0
OD2 B:ASP209 2.4 76.7 1.0
O A:GLY135 2.4 67.0 1.0
CG B:ASP209 2.7 76.8 1.0
CE1 A:HIS311 3.1 73.0 1.0
CD2 A:HIS311 3.3 73.1 1.0
C A:GLY135 3.4 66.7 1.0
CA A:GLY135 3.7 64.0 1.0
NE2 A:GLN137 3.9 84.2 1.0
CB B:ASP209 4.2 74.5 1.0
ND1 A:HIS311 4.3 72.8 1.0
CG A:GLN137 4.4 68.4 1.0
CG A:HIS311 4.4 70.7 1.0
CD A:GLN137 4.4 86.3 1.0
NH2 A:ARG110 4.5 0.3 1.0
OG1 B:THR210 4.6 77.7 1.0
N A:MET136 4.6 60.4 1.0
O A:HOH2046 4.7 42.6 1.0
CB B:GLN207 4.7 78.8 1.0
CA B:ASP209 5.0 73.4 1.0

Cadmium binding site 4 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 4 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


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 Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1673

b:0.1
occ:1.00
 OE2 B:GLU150 2.4 97.8 1.0
OD2 A:ASP320 3.1 72.5 1.0
CD B:GLU150 3.3 85.4 1.0
OE1 B:GLU150 3.5 82.4 1.0
CG A:ASP320 3.8 61.4 1.0
O B:HOH2045 3.9 29.6 1.0
CB A:ASP320 3.9 43.3 1.0
CE A:LYS318 4.7 81.0 1.0
CG B:GLU150 4.7 54.9 1.0
OD1 A:ASP320 5.0 63.0 1.0

Cadmium binding site 5 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 5 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1669

b:66.4
occ:1.00
 O B:GLY135 2.2 56.9 1.0
NE2 B:HIS311 2.2 57.2 1.0
CL B:CL1675 2.4 58.5 1.0
OD1 A:ASP209 2.5 62.9 1.0
OD2 A:ASP209 2.5 65.5 1.0
CG A:ASP209 2.8 64.3 1.0
O A:HOH2083 3.0 54.0 1.0
CE1 B:HIS311 3.1 57.2 1.0
C B:GLY135 3.2 56.9 1.0
CD2 B:HIS311 3.3 56.0 1.0
CA B:GLY135 3.5 53.4 1.0
OE1 B:GLN137 4.1 76.7 1.0
ND1 B:HIS311 4.3 56.7 1.0
CB A:ASP209 4.3 60.7 1.0
CG B:HIS311 4.4 54.0 1.0
N B:MET136 4.4 52.4 1.0
CD B:GLN137 4.5 73.3 1.0
CG B:GLN137 4.6 66.3 1.0
CB A:GLN207 4.7 69.7 1.0
O A:HOH2081 4.7 38.0 1.0
NH2 B:ARG110 4.8 0.2 1.0
N B:GLY135 4.9 55.0 1.0

Cadmium binding site 6 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 6 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


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 Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1671

b:54.1
occ:1.00
 ND1 B:HIS143 2.2 54.2 1.0
OE2 B:GLU145 2.2 32.5 1.0
OE1 A:GLU145 2.3 45.8 1.0
CL B:CL1674 2.4 69.5 1.0
CE1 B:HIS143 3.0 54.6 1.0
CD B:GLU145 3.0 62.1 1.0
OE2 A:GLU145 3.0 44.9 1.0
CD A:GLU145 3.0 62.0 1.0
CG B:HIS143 3.3 52.3 1.0
CG B:GLU145 3.7 56.5 1.0
CB B:HIS143 3.8 47.9 1.0
OE1 B:GLU145 3.8 45.2 1.0
OD1 B:ASN307 3.8 91.2 1.0
CD A:CD1670 3.9 59.2 1.0
C16 A:1W81676 4.0 0.7 1.0
NE2 B:HIS143 4.2 55.3 1.0
ND1 A:HIS143 4.3 62.2 1.0
CD2 B:HIS143 4.4 54.9 1.0
C17 A:1W81676 4.4 0.5 1.0
CG2 B:VAL302 4.4 54.4 1.0
O A:ILE144 4.5 54.9 1.0
CG A:GLU145 4.5 60.0 1.0
CG A:HIS143 4.8 60.8 1.0
C15 A:1W81676 4.8 0.4 1.0
CE1 A:HIS143 4.9 62.6 1.0
CB A:HIS143 5.0 56.5 1.0

Cadmium binding site 7 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 7 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


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 Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1672

b:0.9
occ:1.00
 NE2 B:HIS232 2.4 0.9 1.0
CE1 B:HIS232 2.8 0.4 1.0
CD2 B:HIS232 3.6 0.1 1.0
ND1 B:HIS232 4.0 0.0 1.0
CG B:HIS232 4.3 0.5 1.0

Cadmium binding site 8 out of 8 in 3zg0

Go back to Cadmium Binding Sites List in 3zg0
Cadmium binding site 8 out of 8 in the Crystal Structure of Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization


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 Ceftaroline Acyl-PBP2A From Mrsa with Non-Covalently Bound Ceftaroline and Muramic Acid at Allosteric Site Obtained By Cocrystallization within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1673

b:0.1
occ:1.00
 OD2 B:ASP573 2.5 97.6 1.0
OD1 B:ASN569 2.9 82.0 1.0
OD1 B:ASP573 2.9 85.7 1.0
CG B:ASP573 3.0 85.0 1.0
CG B:ASN569 4.1 94.8 1.0
NZ B:LYS456 4.4 96.7 1.0
O B:ASN569 4.5 65.1 1.0
CB B:ASP573 4.5 66.8 1.0
CB B:ASN569 4.8 64.7 1.0

Reference:

L.H.Otero, A.Rojas-Altuve, L.I.Llarrull, C.Carrasco-Lopez, M.Kumarasiri, E.Lastochkin, J.Fishovitz, M.Dawley, D.Hesek, M.Lee, J.W.Johnson, J.F.Fisher, M.Chang, S.Mobashery, J.A.Hermoso. How Allosteric Control of Staphylococcus Aureus Penicillin Binding Protein 2A Enables Methicillin Resistance and Physiological Function Proc.Natl.Acad.Sci.Usa V. 110 16808 2013.
ISSN: ISSN 0027-8424
PubMed: 24085846
DOI: 10.1073/PNAS.1300118110
Page generated: Fri Jul 19 16:47:54 2024

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