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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

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