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Potassium in PDB 6mz1: Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3

Enzymatic activity of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3

All present enzymatic activity of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3:
3.5.2.6;

Protein crystallography data

The structure of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3, PDB code: 6mz1 was solved by O.A.Pemberton, Y.Chen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.86 / 1.00
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 45.220, 106.720, 47.810, 90.00, 101.79, 90.00
R / Rfree (%) 14.1 / 16.1

Other elements in 6mz1:

The structure of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 also contains other interesting chemical elements:

Sodium (Na) 2 atoms

Potassium Binding Sites:

The binding sites of Potassium atom in the Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 (pdb code 6mz1). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3, PDB code: 6mz1:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 6mz1

Go back to Potassium Binding Sites List in 6mz1
Potassium binding site 1 out of 4 in the Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K304

b:12.4
occ:0.24
 OG A:SER237 2.7 9.6 1.0
OAD A:NXL301 2.8 13.0 0.8
O A:HOH669 2.8 15.0 1.0
O A:HOH679 2.9 9.4 1.0
OAL A:NXL301 3.0 10.6 0.8
O A:HOH642 3.2 13.4 1.0
CB A:SER237 3.4 7.4 1.0
SAR A:NXL301 3.5 12.2 0.8
O A:HOH658 3.9 20.7 1.0
CB A:NXL301 4.1 5.6 0.8
O A:HOH603 4.2 10.8 1.0
OAG A:NXL301 4.2 13.6 0.8
NAK A:NXL301 4.3 9.1 0.8
O B:HOH578 4.4 22.3 1.0
O A:HOH428 4.4 34.0 1.0
N A:SER237 4.4 4.5 1.0
O A:HOH747 4.5 53.4 1.0
CA A:SER237 4.5 5.1 1.0
C A:GLY236 4.7 4.4 1.0
CAH A:NXL301 4.7 6.1 0.8
OAE A:NXL301 4.8 11.4 0.8
O B:HOH812 4.8 38.1 1.0
O A:HOH630 4.9 12.9 1.0
O A:HOH726 4.9 30.2 1.0
O A:GLY236 4.9 4.8 1.0

Potassium binding site 2 out of 4 in 6mz1

Go back to Potassium Binding Sites List in 6mz1
Potassium binding site 2 out of 4 in the Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K305

b:18.1
occ:0.28
 O A:HOH824 2.7 18.9 1.0
OD2 A:ASP50 2.7 14.1 1.0
O A:HOH452 2.8 18.3 1.0
O A:HOH402 2.8 20.9 1.0
CD2 A:LEU290 3.6 23.5 1.0
CG A:ASP50 3.7 11.0 1.0
O A:HOH519 3.8 21.3 1.0
NH2 A:ARG256 3.8 24.5 1.0
CB A:ASP50 3.9 8.2 1.0
OG1 A:THR55 4.1 9.2 1.0
O A:HOH693 4.3 40.8 1.0
CA A:LEU290 4.4 22.8 1.0
OD2 A:ASP53 4.5 10.6 1.0
CB A:LEU290 4.7 23.0 1.0
OXT A:LEU290 4.7 25.7 1.0
O A:HOH827 4.7 48.1 1.0
O A:HOH604 4.7 34.7 1.0
CG A:LEU290 4.8 23.2 1.0
OD1 A:ASP53 4.8 8.4 1.0
OD1 A:ASP50 4.8 11.0 1.0

Potassium binding site 3 out of 4 in 6mz1

Go back to Potassium Binding Sites List in 6mz1
Potassium binding site 3 out of 4 in the Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K303

b:14.3
occ:0.40
 O B:HOH790 2.6 15.9 1.0
OD2 B:ASP53 2.8 13.5 1.0
CG B:ASP53 3.5 11.5 1.0
CB B:ASP53 3.6 10.9 1.0
O B:HOH465 3.6 53.6 1.0
O B:HOH910 4.5 37.9 1.0
OD1 B:ASP53 4.7 10.8 1.0
O B:HOH511 4.7 9.9 1.0
CA B:ASP53 4.9 11.0 1.0

Potassium binding site 4 out of 4 in 6mz1

Go back to Potassium Binding Sites List in 6mz1
Potassium binding site 4 out of 4 in the Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Ctx-M-14 Class A Beta-Lactamase in Complex with Avibactam at pH 5.3 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K304

b:13.6
occ:0.23
 OG B:SER237 2.7 10.5 1.0
O B:HOH681 2.7 16.3 1.0
OAD B:NXL301 2.7 14.5 1.0
OAL B:NXL301 2.9 11.7 1.0
O B:HOH672 3.0 11.5 1.0
O B:HOH598 3.3 18.4 1.0
CB B:SER237 3.3 8.0 1.0
SAR B:NXL301 3.4 13.3 1.0
O B:HOH494 3.9 19.1 1.0
CB B:NXL301 4.0 7.5 1.0
NH2 B:ARG276 4.1 8.7 0.5
OAE B:NXL301 4.2 15.2 1.0
NAK B:NXL301 4.2 10.7 1.0
O A:HOH559 4.3 27.1 1.0
N B:SER237 4.3 5.2 1.0
CA B:SER237 4.4 5.6 1.0
O B:HOH810 4.4 35.2 1.0
C B:GLY236 4.6 4.9 1.0
OAG B:NXL301 4.7 13.1 1.0
CZ B:ARG276 4.7 10.0 0.5
CAH B:NXL301 4.7 8.5 1.0
O A:HOH783 4.7 36.9 1.0
O B:GLY236 4.8 5.8 1.0
NE B:ARG276 4.8 9.7 0.5
O B:HOH654 4.9 13.7 1.0
CA B:NXL301 4.9 6.4 1.0

Reference:

O.A.Pemberton, R.Sanishvili, M.T.Kemp, F.L.Kearns, H.L.Woodcock, Y.Chen. Mechanism of Proton Transfer in Class A Beta-Lactamase Catalysis and Inhibition By Avibactam To Be Published.
Page generated: Sat Aug 9 11:36:10 2025

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