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Potassium in PDB 4xxr: Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 E166A Beta-Lactamase

Enzymatic activity of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 E166A 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 E166A 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 E166A Beta-Lactamase, PDB code: 4xxr 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) 46.92 / 1.18
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.899, 106.775, 47.903, 90.00, 101.87, 90.00
R / Rfree (%) 12.5 / 15.3

Other elements in 4xxr:

The structure of Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in 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 Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 E166A Beta-Lactamase (pdb code 4xxr). 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 E166A Beta-Lactamase, PDB code: 4xxr:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 4xxr

Go back to Potassium Binding Sites List in 4xxr
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 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 Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 E166A Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K301

b:10.7
occ:1.00
 O A:HOH651 2.6 30.8 1.0
O A:GLY238 2.6 5.4 1.0
O A:HOH548 2.7 9.2 1.0
O A:HOH567 2.8 12.4 1.0
O A:HOH550 2.8 7.7 1.0
O A:HOH643 3.0 22.1 1.0
C A:GLY238 3.5 4.7 1.0
O A:ALA272 4.1 8.3 1.0
CA A:ASP240 4.3 5.6 1.0
N A:ASP240 4.3 5.5 1.0
CA A:GLY242 4.4 5.4 1.0
N A:GLY242 4.4 5.2 1.0
CA A:GLY238 4.5 5.5 1.0
N A:GLY238 4.5 4.5 1.0
O A:HOH516 4.5 25.3 1.0
OG A:SER274 4.5 11.8 0.7
O28 A:JSD302 4.6 13.9 1.0
OD1 A:ASP240 4.8 9.4 1.0
C A:ASP240 4.8 5.1 1.0
N A:THR243 4.9 4.5 1.0

Potassium binding site 2 out of 2 in 4xxr

Go back to Potassium Binding Sites List in 4xxr
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 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 Atomic Resolution X-Ray Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic in Complex with Ctx-M-14 E166A Beta-Lactamase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K301

b:13.4
occ:1.00
 O B:HOH680 2.6 28.6 1.0
O B:GLY238 2.6 8.0 1.0
O B:HOH574 2.7 11.0 1.0
O B:HOH592 2.8 14.3 1.0
O B:HOH575 2.8 10.2 1.0
O B:HOH685 3.1 19.9 0.5
C B:GLY238 3.6 7.2 1.0
O B:ALA272 4.0 10.8 1.0
O B:HOH517 4.2 8.5 0.5
CA B:ASP240 4.3 8.0 1.0
N B:ASP240 4.3 7.6 1.0
CA B:GLY242 4.3 7.6 1.0
N B:GLY242 4.3 7.3 1.0
CA B:GLY238 4.5 7.1 1.0
N B:GLY238 4.5 5.6 1.0
O28 B:JSD302 4.5 16.6 1.0
OG B:SER274 4.5 15.2 1.0
C B:ASP240 4.8 7.1 1.0
N B:THR243 4.8 6.5 1.0
OD1 B:ASP240 4.8 12.3 1.0
O B:HOH676 4.9 33.5 1.0
C B:GLY242 4.9 6.9 1.0

Reference:

E.M.Lewandowski, J.Skiba, N.J.Torelli, A.Rajnisz, J.Solecka, K.Kowalski, Y.Chen. Antibacterial Properties and Atomic Resolution X-Ray Complex Crystal Structure of A Ruthenocene Conjugated Beta-Lactam Antibiotic. Chem.Commun.(Camb.) 2015.
ISSN: ESSN 1364-548X
PubMed: 25753149
DOI: 10.1039/C5CC00904A
Page generated: Sun Dec 13 23:52:12 2020

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