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Potassium in PDB 5top: Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase

Enzymatic activity of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase

All present enzymatic activity of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase:
3.5.2.6;

Protein crystallography data

The structure of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase, PDB code: 5top 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) 50.00 / 1.18
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.093, 106.821, 47.933, 90.00, 101.66, 90.00
R / Rfree (%) 12.8 / 14.6

Other elements in 5top:

The structure of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase also contains other interesting chemical elements:

Ruthenium (Ru) 8 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase (pdb code 5top). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase, PDB code: 5top:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 5top

Go back to Potassium Binding Sites List in 5top
Potassium binding site 1 out of 2 in the Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K301

b:16.4
occ:1.00
 O A:GLY238 2.7 12.1 1.0
O A:HOH546 2.7 27.1 1.0
O A:HOH442 2.7 16.7 1.0
O A:HOH488 2.7 15.4 1.0
O A:HOH467 2.9 15.0 1.0
O A:HOH554 3.0 23.2 1.0
C A:GLY238 3.6 11.8 1.0
O A:ALA272 4.2 14.9 1.0
N A:ASP240 4.3 12.0 1.0
CA A:ASP240 4.3 12.3 1.0
CA A:GLY242 4.4 12.2 1.0
N A:GLY242 4.4 11.9 1.0
CA A:GLY238 4.4 11.7 1.0
N A:GLY238 4.5 11.7 1.0
OG A:SER274 4.5 15.7 0.7
O28 A:JSE302 4.6 20.5 1.0
C A:ASP240 4.8 11.7 1.0
O A:HOH564 4.8 27.3 1.0
N A:THR243 4.9 11.4 1.0
OD1 A:ASP240 4.9 16.0 1.0
O A:HOH435 4.9 27.6 1.0
C A:GLY242 5.0 11.8 1.0

Potassium binding site 2 out of 2 in 5top

Go back to Potassium Binding Sites List in 5top
Potassium binding site 2 out of 2 in the Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 S70G Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K301

b:20.4
occ:1.00
 O B:GLY238 2.6 14.7 1.0
O B:HOH472 2.7 19.0 1.0
O B:HOH481 2.7 29.2 1.0
O B:HOH437 2.8 21.2 1.0
O B:HOH447 2.9 19.3 1.0
O B:HOH578 2.9 19.7 0.5
C B:GLY238 3.6 14.4 1.0
O B:ALA272 4.1 18.7 1.0
N B:ASP240 4.3 15.6 1.0
CA B:ASP240 4.3 16.0 1.0
CA B:GLY242 4.4 15.1 1.0
N B:GLY242 4.4 15.1 1.0
CA B:GLY238 4.4 14.3 1.0
N B:GLY238 4.4 13.7 1.0
O28 B:JSE302 4.5 23.9 1.0
OG B:SER274 4.5 21.1 1.0
C B:ASP240 4.8 15.7 1.0
N B:THR243 4.9 13.8 1.0
O B:HOH448 4.9 39.6 1.0
OD1 B:ASP240 4.9 20.0 1.0
C B:GLY242 4.9 14.1 1.0

Reference:

E.M.Lewandowski, K.G.Lethbridge, R.Sanishvili, J.Skiba, K.Kowalski, Y.Chen. Mechanisms of Proton Relay and Product Release By Class A Beta-Lactamase at Ultrahigh Resolution. Febs J. V. 285 87 2018.
ISSN: ISSN 1742-4658
PubMed: 29095570
DOI: 10.1111/FEBS.14315
Page generated: Mon Aug 12 14:38:27 2024

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