Atomistry » Chlorine » PDB 3x1v-3zg5 » 3zg0
Atomistry »
  Chlorine »
    PDB 3x1v-3zg5 »
      3zg0 »

Chlorine 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:

Cadmium (Cd) 8 atoms

Chlorine Binding Sites:

The binding sites of Chlorine 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 Chlorine atom.
In total 4 binding sites of Chlorine 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 Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 3zg0

Go back to Chlorine Binding Sites List in 3zg0
Chlorine binding site 1 out of 4 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 Chlorine with other atoms in the Cl 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:Cl1674

b:47.2
occ:1.00
 CD A:CD1670 2.3 59.2 1.0
OE2 A:GLU145 2.9 44.9 1.0
OE1 B:GLU145 3.3 45.2 1.0
OG1 A:THR300 3.4 72.9 1.0
CG2 A:VAL302 3.5 58.8 1.0
C20 B:1W81676 3.5 0.5 1.0
CG A:GLU145 3.6 60.0 1.0
CD A:GLU145 3.6 62.0 1.0
ND1 A:HIS143 3.7 62.2 1.0
CG1 A:ILE309 3.9 67.8 1.0
CB A:HIS143 4.0 56.5 1.0
CD1 A:ILE309 4.1 73.6 1.0
NH1 A:ARG298 4.2 91.3 1.0
CG A:HIS143 4.3 60.8 1.0
CD B:GLU145 4.4 62.1 1.0
CB A:THR300 4.5 70.9 1.0
N7 B:1W81676 4.7 0.8 1.0
OE1 A:GLU145 4.7 45.8 1.0
OE2 B:GLU145 4.7 32.5 1.0
CG2 A:THR300 4.8 71.3 1.0
CE1 A:HIS143 4.9 62.6 1.0
CB A:VAL302 4.9 59.2 1.0
C18 B:1W81676 5.0 0.9 1.0

Chlorine binding site 2 out of 4 in 3zg0

Go back to Chlorine Binding Sites List in 3zg0
Chlorine binding site 2 out of 4 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 Chlorine with other atoms in the Cl 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:Cl1675

b:74.5
occ:1.00
 CD A:CD1672 2.4 72.7 1.0
NE2 A:HIS311 3.2 73.5 1.0
O A:GLY135 3.5 67.0 1.0
NE2 A:GLN140 3.6 56.3 1.0
CB A:ALA310 3.6 67.4 1.0
NE2 A:GLN137 3.7 84.2 1.0
CD A:GLN137 3.7 86.3 1.0
CD2 A:HIS311 3.9 73.1 1.0
OD1 B:ASP209 4.0 77.3 1.0
CG B:GLN207 4.0 91.7 1.0
CE1 A:HIS311 4.0 73.0 1.0
CG A:GLN137 4.0 68.4 1.0
O A:HOH2130 4.1 34.2 1.0
OE1 A:GLN137 4.2 77.9 1.0
OE1 A:GLN140 4.2 54.9 1.0
OG1 B:THR210 4.4 77.7 1.0
CD A:GLN140 4.4 61.4 1.0
CB B:GLN207 4.4 78.8 1.0
CA A:ALA310 4.7 66.1 1.0
C A:GLY135 4.8 66.7 1.0
OD2 B:ASP209 4.8 76.7 1.0
CG B:ASP209 4.8 76.8 1.0
CB A:GLN137 4.8 63.7 1.0
CG A:HIS311 4.9 70.7 1.0
ND1 A:HIS311 5.0 72.8 1.0

Chlorine binding site 3 out of 4 in 3zg0

Go back to Chlorine Binding Sites List in 3zg0
Chlorine binding site 3 out of 4 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 Chlorine with other atoms in the Cl 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
B:Cl1674

b:69.5
occ:1.00
 CD B:CD1671 2.4 54.1 1.0
OG1 B:THR300 3.2 65.3 1.0
OE2 B:GLU145 3.3 32.5 1.0
C16 A:1W81676 3.4 0.7 1.0
C17 A:1W81676 3.4 0.5 1.0
ND1 B:HIS143 3.5 54.2 1.0
CG B:GLU145 3.6 56.5 1.0
CG2 B:VAL302 3.7 54.4 1.0
CB B:HIS143 3.8 47.9 1.0
C15 A:1W81676 3.8 0.4 1.0
CD B:GLU145 3.8 62.1 1.0
OE1 A:GLU145 3.9 45.8 1.0
N7 A:1W81676 3.9 0.3 1.0
CG B:HIS143 4.0 52.3 1.0
CG1 B:ILE309 4.2 59.9 1.0
C19 A:1W81676 4.2 0.2 1.0
C18 A:1W81676 4.2 0.7 1.0
CB B:THR300 4.4 57.4 1.0
C13 A:1W81676 4.5 0.4 1.0
CE1 B:HIS143 4.5 54.6 1.0
CG2 B:THR300 4.6 50.9 1.0
C20 A:1W81676 4.6 0.0 1.0
CD1 B:ILE309 4.8 62.4 1.0
CD A:GLU145 4.9 62.0 1.0
C14 A:1W81676 4.9 0.5 1.0
OE1 B:GLU145 5.0 45.2 1.0
CB B:GLU145 5.0 44.2 1.0

Chlorine binding site 4 out of 4 in 3zg0

Go back to Chlorine Binding Sites List in 3zg0
Chlorine binding site 4 out of 4 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 Chlorine with other atoms in the Cl 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
B:Cl1675

b:58.5
occ:1.00
 CD B:CD1669 2.4 66.4 1.0
NE2 B:HIS311 3.0 57.2 1.0
O B:GLY135 3.4 56.9 1.0
O A:HOH2084 3.7 35.7 1.0
OE1 B:GLN137 3.7 76.7 1.0
CG A:GLN207 3.7 76.8 1.0
NE2 B:GLN140 3.8 56.2 1.0
CB B:ALA310 3.8 57.8 1.0
CD2 B:HIS311 3.8 56.0 1.0
CD B:GLN137 3.8 73.3 1.0
CE1 B:HIS311 3.9 57.2 1.0
OD1 A:ASP209 3.9 62.9 1.0
CB A:GLN207 4.1 69.7 1.0
NE2 B:GLN137 4.2 54.6 1.0
CG B:GLN137 4.3 66.3 1.0
OE1 B:GLN140 4.3 49.3 1.0
CD B:GLN140 4.5 60.5 1.0
O A:HOH2083 4.6 54.0 1.0
C B:GLY135 4.6 56.9 1.0
OG1 A:THR210 4.7 52.2 1.0
CB B:GLN137 4.7 62.2 1.0
CG A:ASP209 4.8 64.3 1.0
OD2 A:ASP209 4.8 65.5 1.0
CG B:HIS311 4.8 54.0 1.0
CD A:GLN207 4.9 84.5 1.0
ND1 B:HIS311 4.9 56.7 1.0
CA B:ALA310 4.9 57.1 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: Sun Jul 21 08:01:42 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy