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Chlorine in PDB 4dki: Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole

Enzymatic activity of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole

All present enzymatic activity of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole:
3.4.16.4;

Protein crystallography data

The structure of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole, PDB code: 4dki was solved by A.L.Lovering, M.C.Gretes, N.C.J.Strynadka, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.29 / 2.90
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 80.847, 103.471, 186.500, 90.00, 90.00, 90.00
R / Rfree (%) 17.3 / 23.6

Other elements in 4dki:

The structure of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole also contains other interesting chemical elements:

Cadmium (Cd) 7 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole (pdb code 4dki). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole, PDB code: 4dki:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 4dki

Go back to Chlorine Binding Sites List in 4dki
Chlorine binding site 1 out of 4 in the Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl708

b:41.3
occ:1.00
 CD A:CD705 2.5 43.5 1.0
OE1 A:GLU145 3.2 25.6 1.0
OG1 A:THR300 3.2 50.4 1.0
CG A:GLU145 3.3 42.0 1.0
CD A:GLU145 3.6 52.5 1.0
OE2 B:GLU145 3.6 41.1 1.0
CG2 A:VAL302 3.9 42.9 1.0
ND1 A:HIS143 4.0 45.4 1.0
CB A:HIS143 4.1 40.9 1.0
CB A:THR300 4.4 48.1 1.0
CG A:HIS143 4.5 43.7 1.0
CG1 A:ILE309 4.5 53.3 1.0
CB A:GLU145 4.6 36.6 1.0
CD B:GLU145 4.6 51.5 1.0
CG2 A:THR300 4.6 41.6 1.0
OE2 A:GLU145 4.7 26.2 1.0
OE1 B:GLU145 4.8 31.6 1.0
CD A:ARG298 4.9 70.9 1.0

Chlorine binding site 2 out of 4 in 4dki

Go back to Chlorine Binding Sites List in 4dki
Chlorine binding site 2 out of 4 in the Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl709

b:47.6
occ:1.00
 CD A:CD707 2.4 60.3 1.0
NE2 A:GLN140 3.5 58.5 1.0
NE2 A:GLN137 3.5 52.4 1.0
CG B:GLN207 3.6 67.7 1.0
OD1 B:ASP209 3.7 71.7 1.0
CD A:GLN137 3.7 64.9 1.0
NE2 A:HIS311 3.7 53.6 1.0
CB A:ALA310 3.7 52.0 1.0
O A:GLY135 3.8 49.5 1.0
CG A:GLN137 4.1 50.8 1.0
OE1 A:GLN137 4.1 60.3 1.0
CB B:GLN207 4.2 66.2 1.0
CD2 A:HIS311 4.2 52.6 1.0
OG1 B:THR210 4.5 70.2 1.0
CD A:GLN140 4.5 61.4 1.0
CG B:ASP209 4.5 71.1 1.0
OD2 B:ASP209 4.6 77.5 1.0
CD B:GLN207 4.6 78.0 1.0
CE1 A:HIS311 4.6 53.8 1.0
OE1 A:GLN140 4.6 50.6 1.0
CB A:GLN137 4.8 46.1 1.0
CA A:ALA310 4.8 51.4 1.0
OE1 B:GLN207 5.0 67.6 1.0
C A:GLY135 5.0 49.4 1.0

Chlorine binding site 3 out of 4 in 4dki

Go back to Chlorine Binding Sites List in 4dki
Chlorine binding site 3 out of 4 in the Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl707

b:52.0
occ:1.00
 CD B:CD703 2.4 41.0 1.0
OG1 B:THR300 3.2 27.0 1.0
OE1 B:GLU145 3.3 31.6 1.0
CG B:GLU145 3.5 43.6 1.0
OE2 A:GLU145 3.6 26.2 1.0
NH1 B:ARG298 3.6 62.5 1.0
CD B:GLU145 3.7 51.5 1.0
ND1 B:HIS143 3.8 40.6 1.0
CB B:HIS143 3.9 34.9 1.0
CG2 B:VAL302 4.0 35.9 1.0
CD1 B:ILE309 4.0 48.2 1.0
CG1 B:ILE309 4.1 43.7 1.0
CG B:HIS143 4.3 38.6 1.0
CB B:THR300 4.3 31.6 1.0
CD A:GLU145 4.7 52.5 1.0
CG2 B:THR300 4.7 23.0 1.0
CZ B:ARG298 4.8 92.9 1.0
CB B:GLU145 4.9 35.9 1.0
CE1 B:HIS143 4.9 40.0 1.0
OE2 B:GLU145 4.9 41.1 1.0
OE1 A:GLU145 5.0 25.6 1.0

Chlorine binding site 4 out of 4 in 4dki

Go back to Chlorine Binding Sites List in 4dki
Chlorine binding site 4 out of 4 in the Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structural Insights Into the Anti- Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl708

b:44.7
occ:1.00
 CD B:CD704 2.3 46.6 1.0
O B:GLY135 3.3 35.3 1.0
NE2 B:GLN137 3.3 59.5 1.0
NE2 B:HIS311 3.4 44.0 1.0
NE2 B:GLN140 3.5 42.0 1.0
CD B:GLN137 3.5 59.5 1.0
CG B:GLN137 3.5 41.2 1.0
CG A:GLN207 3.7 62.3 1.0
OD2 A:ASP209 3.8 68.8 1.0
CB B:ALA310 3.8 37.3 1.0
CD2 B:HIS311 4.0 43.2 1.0
CB A:GLN207 4.2 52.7 1.0
OE1 B:GLN137 4.3 46.6 1.0
CE1 B:HIS311 4.4 44.4 1.0
CD B:GLN140 4.4 48.1 1.0
OE1 B:GLN140 4.4 35.9 1.0
OD1 A:ASP209 4.4 66.8 1.0
C B:GLY135 4.5 37.0 1.0
CG A:ASP209 4.6 64.2 1.0
OG1 A:THR210 4.8 60.3 1.0
CA B:ALA310 4.9 36.7 1.0
CB B:GLN137 4.9 34.1 1.0
CD A:GLN207 4.9 77.7 1.0

Reference:

A.L.Lovering, M.C.Gretes, S.S.Safadi, F.Danel, L.De Castro, M.G.Page, N.C.Strynadka. Structural Insights Into the Anti-Methicillin-Resistant Staphylococcus Aureus (Mrsa) Activity of Ceftobiprole. J.Biol.Chem. V. 287 32096 2012.
ISSN: ISSN 0021-9258
PubMed: 22815485
DOI: 10.1074/JBC.M112.355644
Page generated: Sat Dec 12 10:32:20 2020

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