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

Enzymatic activity of Ultrahigh Resolution 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 Ultrahigh Resolution 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 Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase, PDB code: 5vle 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) 10.00 / 0.85
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 44.745, 106.418, 47.611, 90.00, 102.38, 90.00
R / Rfree (%) n/a / n/a

Other elements in 5vle:

The structure of Ultrahigh Resolution 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) 7 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase (pdb code 5vle). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 2 binding sites of Potassium where determined in the Ultrahigh Resolution X-Ray Crystal Structure of Ruthenocene Conjugated Penicilloate and Penilloate Products in Complex with Ctx-M-14 E166A Beta-Lactamase, PDB code: 5vle:
Jump to Potassium binding site number: 1; 2;

Potassium binding site 1 out of 2 in 5vle

Go back to Potassium Binding Sites List in 5vle
Potassium binding site 1 out of 2 in the Ultrahigh Resolution 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 Ultrahigh Resolution 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:K905

b:9.1
occ:0.75
 O A:HOH1155 2.6 33.5 1.0
O A:GLY238 2.6 7.0 1.0
O A:HOH1065 2.7 12.1 1.0
O A:HOH1062 2.7 10.0 1.0
O A:HOH1051 2.8 9.1 1.0
O A:HOH1141 3.0 28.5 1.0
HA A:ASP240 3.5 7.6 1.0
C A:GLY238 3.6 6.2 1.0
HA2 A:GLY242 3.7 8.6 1.0
H A:GLY242 3.9 7.9 1.0
O A:ALA272 4.1 10.0 1.0
H A:GLY238 4.2 7.4 1.0
N A:ASP240 4.3 6.4 1.0
CA A:ASP240 4.3 6.3 1.0
H A:THR243 4.4 7.6 1.0
CA A:GLY242 4.4 7.2 1.0
N A:GLY242 4.4 6.6 1.0
HB2 A:SER237 4.4 9.7 0.5
O A:HOH1268 4.5 14.8 0.5
CA A:GLY238 4.5 7.0 1.0
N A:GLY238 4.5 6.2 1.0
HB2 A:SER237 4.6 7.9 0.5
OG A:SER274 4.6 8.8 0.6
O28 A:JSD901 4.6 12.4 0.9
HA2 A:GLY238 4.6 8.4 1.0
OD1 A:ASP240 4.8 9.3 1.0
C A:ASP240 4.8 6.1 1.0
H A:SER274 4.8 9.0 0.6
O A:HOH1029 4.8 18.7 0.5
N A:THR243 4.9 6.3 1.0
HA A:GLU273 4.9 11.7 0.5
HB3 A:SER274 5.0 13.7 0.4

Potassium binding site 2 out of 2 in 5vle

Go back to Potassium Binding Sites List in 5vle
Potassium binding site 2 out of 2 in the Ultrahigh Resolution 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 Ultrahigh Resolution 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:K303

b:9.5
occ:0.72
 O B:HOH485 2.6 31.6 1.0
O B:GLY238 2.6 8.2 1.0
O B:HOH497 2.7 10.3 1.0
O B:HOH500 2.7 13.2 1.0
O B:HOH444 2.8 10.5 1.0
O B:HOH632 2.8 13.8 0.5
O B:HOH675 3.1 26.2 1.0
HA B:ASP240 3.5 10.1 1.0
HA2 B:GLY242 3.5 10.0 1.0
C B:GLY238 3.6 7.5 1.0
H B:GLY242 3.8 9.5 1.0
O B:ALA272 4.0 11.2 1.0
H B:GLY238 4.1 8.4 1.0
CA B:ASP240 4.3 8.4 1.0
H B:THR243 4.3 8.5 1.0
N B:ASP240 4.3 8.1 1.0
O B:HOH685 4.3 44.3 1.0
CA B:GLY242 4.3 8.4 1.0
N B:GLY242 4.4 7.9 1.0
O28 B:JSD301 4.4 14.8 0.9
HB3 B:SER237 4.4 12.7 0.4
N B:GLY238 4.5 7.0 1.0
CA B:GLY238 4.5 7.8 1.0
HB2 B:SER237 4.5 9.5 0.6
OG B:SER274 4.5 11.9 1.0
HA2 B:GLY238 4.6 9.4 1.0
HA B:GLU273 4.8 14.0 0.4
C B:ASP240 4.8 8.0 1.0
OD1 B:ASP240 4.8 11.5 1.0
N B:THR243 4.8 7.1 1.0
O B:HOH422 4.9 30.7 1.0
H B:SER274 4.9 12.0 1.0
C B:GLY242 5.0 7.5 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 14:50:51 2024

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