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Potassium in PDB 5toy: X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase

Enzymatic activity of X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase

All present enzymatic activity of X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase:
3.5.2.6;

Protein crystallography data

The structure of X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase, PDB code: 5toy 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) 53.39 / 1.30
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.012, 106.787, 47.759, 90.00, 101.76, 90.00
R / Rfree (%) 14.3 / 16.3

Other elements in 5toy:

The structure of X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase also contains other interesting chemical elements:

Ruthenium (Ru) 5 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase (pdb code 5toy). 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 Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase, PDB code: 5toy:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 5toy

Go back to Potassium Binding Sites List in 5toy
Potassium binding site 1 out of 2 in the X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in 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 Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K301

b:14.4
occ:0.75
 O A:HOH563 2.6 24.1 1.0
O A:GLY238 2.6 11.4 1.0
O A:HOH481 2.7 14.6 1.0
O A:HOH470 2.7 18.4 1.0
O A:HOH548 2.8 26.3 1.0
O A:HOH475 2.8 13.6 1.0
C A:GLY238 3.5 11.2 1.0
O6 A:SUC306 3.6 19.8 0.6
O A:ALA272 4.1 15.0 1.0
O1 A:PO4303 4.2 26.1 0.5
CA A:ASP240 4.3 12.0 1.0
N A:ASP240 4.3 11.6 1.0
CA A:GLY242 4.3 11.2 1.0
N A:GLY242 4.4 11.2 1.0
CA A:GLY238 4.4 11.2 1.0
N A:GLY238 4.5 11.1 1.0
O28 A:JSC304 4.5 26.2 0.2
O28 A:JSD305 4.5 17.6 0.8
OG A:SER274 4.5 17.0 1.0
C4 A:SUC306 4.6 19.1 0.6
O5 A:SUC306 4.7 19.0 0.6
C A:ASP240 4.7 11.7 1.0
OD1 A:ASP240 4.8 14.8 1.0
C6 A:SUC306 4.8 19.4 0.6
N A:THR243 4.8 10.8 1.0
C A:GLY242 5.0 10.9 1.0

Potassium binding site 2 out of 2 in 5toy

Go back to Potassium Binding Sites List in 5toy
Potassium binding site 2 out of 2 in the X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in 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 Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K301

b:18.8
occ:1.00
 O B:GLY238 2.6 13.4 1.0
O B:HOH498 2.6 20.0 1.0
O B:HOH502 2.7 26.6 1.0
O B:HOH522 2.7 17.3 1.0
O B:HOH454 2.8 16.2 1.0
O B:HOH460 2.9 25.1 1.0
O6 B:SUC307 3.4 18.1 0.6
C B:GLY238 3.5 13.3 1.0
O B:HOH456 4.0 28.4 1.0
O B:ALA272 4.1 17.2 1.0
N B:ASP240 4.3 14.6 1.0
CA B:ASP240 4.3 15.0 1.0
N B:GLY242 4.4 13.5 1.0
CA B:GLY242 4.4 13.3 1.0
CA B:GLY238 4.4 13.1 1.0
O28 B:JSC304 4.4 22.6 0.2
O28 B:JSD306 4.4 18.6 0.8
N B:GLY238 4.4 12.7 1.0
O3 B:PO4302 4.5 25.4 0.8
OG B:SER274 4.5 16.8 1.0
C4 B:SUC307 4.6 17.8 0.6
O5 B:SUC307 4.6 17.3 0.6
C6 B:SUC307 4.7 17.8 0.6
C B:ASP240 4.8 14.5 1.0
OD1 B:ASP240 4.8 17.6 1.0
N B:THR243 4.8 12.6 1.0
O2 B:PO4302 4.8 25.9 0.8
C5 B:SUC307 4.9 17.7 0.6
C B:GLY242 4.9 12.9 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 14:38:35 2024

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