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Chlorine 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:

Cadmium (Cd) 11 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa, PDB code: 4cpk:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4cpk

Go back to Chlorine Binding Sites List in 4cpk
Chlorine binding site 1 out of 4 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl1677

b:35.2
occ:1.00
 CD A:CD1670 2.5 34.2 1.0
OG1 A:THR300 3.2 26.0 1.0
O A:HOH2202 3.3 37.4 1.0
OE1 B:GLU145 3.5 35.4 1.0
O B:HOH2071 3.7 43.1 1.0
CG2 A:VAL302 3.8 36.3 1.0
ND1 A:HIS143 3.9 34.5 1.0
CG1 A:ILE309 4.0 41.8 1.0
CG A:GLU145 4.0 44.3 1.0
CG2 A:THR300 4.1 21.2 1.0
CB A:HIS143 4.1 29.2 1.0
CD1 A:ILE309 4.1 38.0 1.0
CB A:THR300 4.1 28.5 1.0
OE2 B:GLU145 4.2 93.2 1.0
CD B:GLU145 4.3 78.7 1.0
CG A:HIS143 4.4 32.7 1.0
CD A:GLU145 5.0 80.2 1.0

Chlorine binding site 2 out of 4 in 4cpk

Go back to Chlorine Binding Sites List in 4cpk
Chlorine binding site 2 out of 4 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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:Cl1678

b:35.8
occ:1.00
 CD A:CD1672 2.6 39.2 1.0
O A:HOH2207 3.0 41.7 1.0
NE2 A:HIS311 3.5 33.0 1.0
NE2 A:GLN140 3.5 46.5 1.0
O A:HOH2203 3.6 44.1 1.0
NE2 A:GLN137 3.7 45.1 1.0
CB A:ALA310 3.7 34.6 1.0
CG B:GLN207 3.7 56.3 1.0
CD A:GLN137 3.8 58.6 1.0
O A:GLY135 3.8 32.8 1.0
O A:HOH2089 4.0 20.4 1.0
CD2 A:HIS311 4.0 33.1 1.0
OD1 B:ASP209 4.0 39.3 1.0
CG A:GLN137 4.1 46.0 1.0
OE1 A:GLN137 4.1 52.4 1.0
CB B:GLN207 4.2 48.3 1.0
CE1 A:HIS311 4.4 33.0 1.0
CD A:GLN140 4.5 52.4 1.0
OE1 A:GLN140 4.6 45.6 1.0
OG1 B:THR210 4.8 46.2 1.0
CD B:GLN207 4.8 72.7 1.0
CA A:ALA310 4.8 33.9 1.0
CG B:ASP209 4.9 41.7 1.0
OD2 B:ASP209 4.9 45.3 1.0
CB A:GLN137 4.9 39.9 1.0

Chlorine binding site 3 out of 4 in 4cpk

Go back to Chlorine Binding Sites List in 4cpk
Chlorine binding site 3 out of 4 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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
B:Cl1674

b:36.7
occ:1.00
 CD B:CD1671 2.6 33.5 1.0
OG1 B:THR300 3.1 33.0 1.0
O B:HOH2173 3.2 33.9 1.0
CG2 B:VAL302 3.8 31.7 1.0
OE1 A:GLU145 3.8 49.2 1.0
CG2 B:THR300 3.9 27.3 1.0
CG B:GLU145 3.9 50.6 1.0
CG1 B:ILE309 3.9 34.3 1.0
CB B:THR300 4.0 32.6 1.0
ND1 B:HIS143 4.0 29.4 1.0
CB B:HIS143 4.0 26.2 1.0
CD1 B:ILE309 4.1 31.3 1.0
OE2 A:GLU145 4.3 97.3 1.0
CD A:GLU145 4.4 80.2 1.0
CG B:HIS143 4.4 28.5 1.0
CD B:GLU145 4.9 78.7 1.0
CB B:GLU145 5.0 35.4 1.0

Chlorine binding site 4 out of 4 in 4cpk

Go back to Chlorine Binding Sites List in 4cpk
Chlorine binding site 4 out of 4 in the Crystal Structure of PBP2A Double Clinical Mutant N146K- E150K From Mrsa


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl 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
B:Cl1675

b:33.5
occ:1.00
 CD B:CD1669 2.6 35.9 1.0
O A:HOH2138 3.0 50.5 1.0
NE2 B:GLN140 3.2 22.3 1.0
CD B:GLN137 3.5 59.3 1.0
CG A:GLN207 3.6 57.1 1.0
CB B:ALA310 3.6 30.6 1.0
NE2 B:GLN137 3.7 44.9 1.0
NE2 B:HIS311 3.7 34.6 1.0
OE1 B:GLN137 3.8 52.7 1.0
CG B:GLN137 3.8 48.9 1.0
O B:GLY135 3.9 33.0 1.0
OD1 A:ASP209 4.0 41.0 1.0
CD2 B:HIS311 4.2 34.2 1.0
CD B:GLN140 4.2 38.9 1.0
CB A:GLN207 4.2 44.5 1.0
OE1 B:GLN140 4.3 36.5 1.0
CB B:GLN137 4.6 32.2 1.0
OG1 A:THR210 4.7 36.9 1.0
CE1 B:HIS311 4.7 34.3 1.0
CD A:GLN207 4.8 65.9 1.0
CA B:ALA310 4.8 30.3 1.0
CG A:ASP209 4.9 42.0 1.0
OD2 A:ASP209 4.9 43.0 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: Sun Jul 21 11:26:34 2024

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