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Cadmium in PDB 4bl2: Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa

Enzymatic activity of Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa

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

Protein crystallography data

The structure of Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa, PDB code: 4bl2 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) 19.89 / 2.72
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 (%) 20.67 / 28.67

Other elements in 4bl2:

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

Chlorine (Cl) 4 atoms

Cadmium Binding Sites:

The binding sites of Cadmium atom in the Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa (pdb code 4bl2). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 7 binding sites of Cadmium where determined in the Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa, PDB code: 4bl2:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7;

Cadmium binding site 1 out of 7 in 4bl2

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Cadmium binding site 1 out of 7 in the Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa


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 PBP2A Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1001

b:46.5
occ:1.00
 OE2 A:GLU145 2.3 43.9 1.0
CL A:CL1010 2.4 43.8 1.0
OE2 B:GLU145 2.4 42.9 1.0
ND1 A:HIS143 2.4 41.5 1.0
OE1 B:GLU145 2.7 42.3 1.0
CD B:GLU145 2.9 41.0 1.0
O A:HOH2049 2.9 36.0 1.0
CD A:GLU145 3.2 44.0 1.0
CE1 A:HIS143 3.4 42.0 1.0
CG A:HIS143 3.5 41.5 1.0
CB A:HIS143 3.7 41.2 1.0
CG A:GLU145 3.8 44.3 1.0
CD B:CD1002 3.8 45.1 1.0
OD1 A:ASN307 4.1 64.1 1.0
OE1 A:GLU145 4.2 44.5 1.0
CG2 A:VAL302 4.4 36.9 1.0
O B:ILE144 4.4 41.8 1.0
ND1 B:HIS143 4.4 45.1 1.0
CG B:GLU145 4.4 38.6 1.0
NE2 A:HIS143 4.6 43.1 1.0
CD2 A:HIS143 4.6 42.6 1.0
CG B:HIS143 4.9 44.8 1.0
CE1 B:HIS143 4.9 45.3 1.0
OG1 A:THR300 5.0 36.6 1.0

Cadmium binding site 2 out of 7 in 4bl2

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Cadmium binding site 2 out of 7 in the Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa


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 PBP2A Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1003

b:47.4
occ:1.00
 OD1 A:ASP209 2.3 51.2 1.0
O B:GLY135 2.3 32.4 1.0
OD2 A:ASP209 2.5 51.3 1.0
CL B:CL1012 2.6 51.9 1.0
CG A:ASP209 2.7 51.6 1.0
NE2 B:HIS311 3.1 41.2 1.0
C B:GLY135 3.4 31.3 1.0
NE2 B:GLN137 3.5 34.2 1.0
CD2 B:HIS311 3.6 41.2 1.0
CA B:GLY135 3.9 31.3 1.0
CE1 B:HIS311 4.2 42.9 1.0
CB A:ASP209 4.2 52.5 1.0
CD B:GLN137 4.3 35.3 1.0
N B:MET136 4.6 47.6 1.0
CG B:HIS311 4.8 43.2 1.0
OG1 A:THR210 4.9 30.7 1.0
CB A:GLN207 4.9 57.7 1.0
OE1 B:GLN137 5.0 36.3 1.0

Cadmium binding site 3 out of 7 in 4bl2

Go back to Cadmium Binding Sites List in 4bl2
Cadmium binding site 3 out of 7 in the Crystal Structure of PBP2A Clinical Mutant 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 Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1004

b:0.1
occ:1.00
 CE1 A:HIS232 2.4 91.2 1.0
ND1 A:HIS232 3.3 89.2 1.0
NE2 A:HIS232 3.4 91.9 1.0
O A:LYS229 4.3 55.5 1.0
CG A:HIS232 4.5 88.6 1.0
CD2 A:HIS232 4.5 90.3 1.0
O A:LYS230 4.6 96.8 1.0

Cadmium binding site 4 out of 7 in 4bl2

Go back to Cadmium Binding Sites List in 4bl2
Cadmium binding site 4 out of 7 in the Crystal Structure of PBP2A Clinical Mutant 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 Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cd1005

b:48.3
occ:1.00
 OD1 B:ASP209 2.3 46.2 1.0
O A:GLY135 2.4 37.6 1.0
CL A:CL1011 2.5 40.0 1.0
OD2 B:ASP209 2.6 45.9 1.0
CE1 A:HIS311 2.8 45.7 1.0
CG B:ASP209 2.8 46.2 1.0
C A:GLY135 3.4 35.8 1.0
ND1 A:HIS311 3.5 45.3 1.0
CA A:GLY135 3.8 35.0 1.0
NE2 A:HIS311 3.9 45.8 1.0
NE2 A:GLN137 4.0 42.8 1.0
CB B:ASP209 4.3 47.0 1.0
CG A:GLN137 4.4 42.1 1.0
CD A:GLN137 4.4 42.4 1.0
N A:MET136 4.6 43.8 1.0
CG A:HIS311 4.8 45.6 1.0
NH2 A:ARG110 4.8 62.6 1.0
CD2 A:HIS311 4.9 45.9 1.0
CB B:GLN207 5.0 58.3 1.0

Cadmium binding site 5 out of 7 in 4bl2

Go back to Cadmium Binding Sites List in 4bl2
Cadmium binding site 5 out of 7 in the Crystal Structure of PBP2A Clinical Mutant E150K From Mrsa


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 PBP2A Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1002

b:45.1
occ:1.00
 OE1 A:GLU145 2.1 44.5 1.0
ND1 B:HIS143 2.2 45.1 1.0
OE2 A:GLU145 2.3 43.9 1.0
CL B:CL1009 2.5 34.7 1.0
CD A:GLU145 2.5 44.0 1.0
OE2 B:GLU145 2.7 42.9 1.0
CE1 B:HIS143 3.2 45.3 1.0
CG B:HIS143 3.2 44.8 1.0
CD B:GLU145 3.3 41.0 1.0
CB B:HIS143 3.5 44.4 1.0
CD A:CD1001 3.8 46.5 1.0
CG B:GLU145 3.8 38.6 1.0
OE1 B:GLU145 4.0 42.3 1.0
CG A:GLU145 4.0 44.3 1.0
ND1 A:HIS143 4.3 41.5 1.0
NE2 B:HIS143 4.4 45.9 1.0
CD2 B:HIS143 4.4 45.4 1.0
CG2 B:VAL302 4.6 39.1 1.0
OD1 B:ASN307 4.8 68.0 1.0
CE1 A:HIS143 4.8 42.0 1.0
OG1 B:THR300 4.8 36.7 1.0
CG A:HIS143 4.9 41.5 1.0
CB A:GLU145 4.9 45.5 1.0
CA B:HIS143 4.9 44.4 1.0

Cadmium binding site 6 out of 7 in 4bl2

Go back to Cadmium Binding Sites List in 4bl2
Cadmium binding site 6 out of 7 in the Crystal Structure of PBP2A Clinical Mutant 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 Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1006

b:0.6
occ:1.00
 NE2 B:HIS232 2.5 80.8 1.0
CE1 B:HIS232 3.0 78.4 1.0
CD2 B:HIS232 3.7 72.9 1.0
ND1 B:HIS232 4.3 70.5 1.0
CG B:HIS232 4.6 67.2 1.0

Cadmium binding site 7 out of 7 in 4bl2

Go back to Cadmium Binding Sites List in 4bl2
Cadmium binding site 7 out of 7 in the Crystal Structure of PBP2A Clinical Mutant 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 Clinical Mutant E150K From Mrsa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cd1007

b:75.4
occ:1.00
 OD2 B:ASP573 2.6 48.9 1.0
OD1 B:ASN569 2.6 50.1 1.0
OD1 B:ASP573 2.7 55.3 1.0
CG B:ASP573 3.0 51.3 1.0
O B:HOH2101 3.1 35.3 1.0
CG B:ASN569 3.8 49.3 1.0
O B:HOH2100 4.0 43.9 1.0
ND2 B:ASN569 4.4 49.2 1.0
CB B:ASP573 4.4 46.8 1.0
O B:ASN569 4.8 48.1 1.0
NZ B:LYS456 5.0 50.9 1.0
CB B:ASN569 5.0 49.1 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 16:58:56 2024

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