Atomistry » Potassium » PDB 5u3s-5vsn » 5ujo
Atomistry »
  Potassium »
    PDB 5u3s-5vsn »
      5ujo »

Potassium in PDB 5ujo: X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase

Enzymatic activity of X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase

All present enzymatic activity of X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase:
3.5.2.6;

Protein crystallography data

The structure of X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase, PDB code: 5ujo was solved by E.M.Lewandowski, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 53.68 / 1.35
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.961, 107.351, 47.956, 90.00, 101.36, 90.00
R / Rfree (%) 12.5 / 15

Other elements in 5ujo:

The structure of X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase also contains other interesting chemical elements:

Ruthenium (Ru) 6 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase (pdb code 5ujo). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase, PDB code: 5ujo:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 5ujo

Go back to Potassium Binding Sites List in 5ujo
Potassium binding site 1 out of 2 in the X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K301

b:10.3
occ:0.50
 O A:HOH574 2.5 36.2 1.0
O A:GLY238 2.6 11.6 1.0
O A:HOH453 2.7 16.0 1.0
O A:HOH428 2.7 17.2 1.0
O A:HOH575 2.8 27.7 1.0
O A:HOH425 2.8 15.3 1.0
C A:GLY238 3.5 11.0 1.0
O A:ALA272 4.1 15.3 1.0
N A:ASP240 4.3 11.0 1.0
CA A:ASP240 4.3 11.8 1.0
CA A:GLY242 4.4 11.6 1.0
N A:GLY242 4.4 11.1 1.0
CA A:GLY238 4.5 11.6 1.0
N A:GLY238 4.5 10.6 1.0
O28 A:8CY302 4.5 17.0 0.4
OG A:SER274 4.5 21.5 1.0
O28 A:8CY302 4.6 18.8 0.6
C A:ASP240 4.8 11.3 1.0
OD1 A:ASP240 4.8 16.0 1.0
N A:THR243 4.9 10.5 1.0
C A:GLY242 5.0 11.7 1.0

Potassium binding site 2 out of 2 in 5ujo

Go back to Potassium Binding Sites List in 5ujo
Potassium binding site 2 out of 2 in the X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of X-Ray Crystal Structure of Ruthenocenyl-7- Aminodesacetoxycephalosporanic Acid Covalent Acyl-Enyzme Complex with Ctx-M-14 E166A Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K301

b:16.3
occ:0.75
 O B:HOH570 2.5 38.8 1.0
O B:GLY238 2.6 12.6 1.0
O B:HOH479 2.7 17.8 1.0
O B:HOH466 2.7 18.8 1.0
O B:HOH597 2.7 17.9 0.5
O B:HOH447 2.8 16.0 1.0
C B:GLY238 3.5 11.0 1.0
O B:ALA272 4.1 17.1 1.0
CA B:ASP240 4.3 13.1 1.0
N B:ASP240 4.3 12.3 1.0
N B:GLY242 4.4 12.0 1.0
CA B:GLY242 4.4 13.0 1.0
CA B:GLY238 4.4 11.8 1.0
N B:GLY238 4.5 10.8 1.0
O28 B:8CY302 4.5 19.4 0.5
OG B:SER274 4.5 20.9 1.0
O28 B:8CY302 4.6 21.5 0.5
C B:ASP240 4.7 12.6 1.0
OD1 B:ASP240 4.8 17.4 1.0
N B:THR243 4.8 11.2 1.0
O B:HOH411 4.9 42.0 1.0
C B:GLY242 4.9 12.0 1.0

Reference:

E.M.Lewandowski, L.Szczupak, S.Wong, J.Skiba, A.Guspiel, J.Solecka, V.Vrcek, K.Kowalski, Y.Chen. Antibacterial Properties of Metallocenyl-7-Adca Derivatives and Structure in Complex with Ctx-Mbeta-Lactamase. Organometallics V. 36 1673 2017.
ISSN: ISSN 0276-7333
PubMed: 29051683
DOI: 10.1021/ACS.ORGANOMET.6B00888
Page generated: Mon Aug 12 14:41:18 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy