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Potassium in PDB 7uyy: The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh

Protein crystallography data

The structure of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh, PDB code: 7uyy was solved by L.Gonzalez-Segura, A.L.Juarez-Vazquez, R.A.Munoz-Clares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 47.92 / 2.70
Space group H 3 2
Cell size a, b, c (Å), α, β, γ (°) 184.518, 184.518, 251.136, 90, 90, 120
R / Rfree (%) 13.5 / 18.1

Potassium Binding Sites:

The binding sites of Potassium atom in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh (pdb code 7uyy). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 6 binding sites of Potassium where determined in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh, PDB code: 7uyy:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6;

Potassium binding site 1 out of 6 in 7uyy

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Potassium binding site 1 out of 6 in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K501

b:50.7
occ:1.00
 OD1 A:ASP109 2.7 29.1 1.0
O A:GLU196 2.7 25.9 1.0
O A:ASP109 2.8 30.1 1.0
O A:HOH665 2.8 28.2 1.0
O A:THR41 2.9 29.2 1.0
O A:HOH785 3.2 35.3 1.0
OG A:SER40 3.6 38.9 1.0
C A:GLU196 3.7 23.4 1.0
CG A:ASP109 3.7 23.1 1.0
N A:THR41 3.7 19.9 1.0
C A:ASP109 3.8 28.1 1.0
C A:THR41 3.9 27.1 1.0
CA A:ASP109 4.0 16.6 1.0
CA A:GLU196 4.2 17.0 1.0
C A:SER40 4.3 27.3 1.0
CA A:SER40 4.3 27.2 1.0
O A:HOH733 4.3 29.5 1.0
O A:HOH873 4.3 40.5 1.0
O A:HOH791 4.3 30.6 1.0
CB A:SER40 4.4 30.5 1.0
CA A:THR41 4.5 26.7 1.0
CB A:ASP109 4.5 14.4 1.0
OD2 A:ASP109 4.6 22.8 1.0
CD A:PRO43 4.6 24.4 1.0
N A:THR197 4.8 19.8 1.0
N A:ASN42 4.9 29.6 1.0
CB A:GLU196 4.9 17.7 1.0
CD1 A:LEU49 4.9 32.0 1.0
O A:PRO195 4.9 29.5 1.0
N A:SER110 5.0 25.5 1.0

Potassium binding site 2 out of 6 in 7uyy

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Potassium binding site 2 out of 6 in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K502

b:52.5
occ:1.00
 NE A:ARG251 3.6 30.6 1.0
O2 A:EDO521 3.8 41.7 1.0
NH2 A:ARG251 3.9 25.9 1.0
CB A:ALA248 4.2 12.0 1.0
CA A:ALA248 4.2 25.2 1.0
N A:ALA248 4.2 24.9 1.0
CZ A:ARG251 4.2 30.1 1.0
CD A:ARG251 4.6 24.7 1.0
CG2 A:THR247 4.8 31.9 1.0
CB A:THR247 4.8 32.3 1.0
C A:THR247 4.9 31.3 1.0

Potassium binding site 3 out of 6 in 7uyy

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Potassium binding site 3 out of 6 in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K503

b:48.5
occ:1.00
 O B:LEU262 2.8 18.0 1.0
O A:HOH660 2.8 14.0 1.0
O B:HOH631 2.9 13.6 1.0
O A:GLY471 3.0 17.2 1.0
O A:LYS468 3.1 23.4 1.0
O A:HOH732 3.4 12.6 1.0
N B:ARG264 3.7 18.4 1.0
C B:LEU262 3.9 21.2 1.0
C A:LYS468 4.0 22.6 1.0
C B:LYS263 4.0 16.6 1.0
O B:HOH648 4.1 16.1 1.0
CA B:LYS263 4.1 15.9 1.0
O B:HOH694 4.2 26.4 1.0
C A:GLY471 4.2 16.1 1.0
N A:LYS468 4.2 15.7 1.0
CA A:LYS468 4.3 17.1 1.0
N B:LYS263 4.4 16.6 1.0
CA B:ARG264 4.5 17.4 1.0
CA A:PHE472 4.5 15.8 1.0
CB B:ARG264 4.6 14.2 1.0
OE2 B:GLU487 4.6 18.6 1.0
O B:ALA239 4.7 17.7 1.0
N A:PHE472 4.8 14.0 1.0
O B:LYS263 4.8 21.8 1.0
CD2 A:PHE472 4.8 17.5 1.0
CB B:LEU262 4.9 15.9 1.0
CB A:PHE472 4.9 13.3 1.0
C A:TYR467 5.0 15.7 1.0

Potassium binding site 4 out of 6 in 7uyy

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Potassium binding site 4 out of 6 in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K501

b:63.3
occ:1.00
 O B:GLU196 2.7 25.2 1.0
OD1 B:ASP109 2.8 33.1 1.0
O B:THR41 2.8 27.4 1.0
O B:ASP109 3.3 23.2 1.0
N B:THR41 3.4 24.5 1.0
OG B:SER40 3.5 33.1 1.0
C B:GLU196 3.6 22.2 1.0
C B:THR41 3.8 27.1 1.0
CG B:ASP109 3.9 30.8 1.0
CA B:GLU196 3.9 24.1 1.0
CA B:SER40 4.0 23.9 1.0
C B:SER40 4.0 23.2 1.0
O B:HOH613 4.1 24.0 1.0
CB B:SER40 4.1 23.0 1.0
CA B:THR41 4.2 31.1 1.0
C B:ASP109 4.3 21.7 1.0
CA B:ASP109 4.5 20.2 1.0
OD2 B:ASP109 4.6 27.7 1.0
O B:HOH688 4.6 37.3 1.0
O B:PRO195 4.6 24.6 1.0
CB B:GLU196 4.7 24.7 1.0
CD B:PRO43 4.7 24.9 1.0
CD1 B:LEU49 4.7 15.9 1.0
CB B:ASP109 4.8 23.3 1.0
OG1 B:THR41 4.8 32.0 1.0
N B:THR197 4.8 30.4 1.0
N B:ASN42 4.9 28.0 1.0

Potassium binding site 5 out of 6 in 7uyy

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Potassium binding site 5 out of 6 in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K502

b:63.8
occ:1.00
 O A:HOH684 2.7 21.1 1.0
O A:LEU262 2.9 19.9 1.0
O B:HOH657 3.0 14.2 1.0
O B:HOH742 3.2 17.8 1.0
O B:GLY471 3.2 19.7 1.0
O B:LYS468 3.3 24.4 1.0
N A:ARG264 3.6 19.0 1.0
C A:LYS263 4.0 23.7 1.0
C A:LEU262 4.0 24.7 1.0
O A:HOH622 4.0 18.9 1.0
C B:LYS468 4.1 28.7 1.0
CA A:LYS263 4.1 15.2 1.0
CA B:LYS468 4.3 25.8 1.0
N B:LYS468 4.3 26.3 1.0
CA A:ARG264 4.3 18.2 1.0
C B:GLY471 4.3 25.0 1.0
CB A:ARG264 4.4 18.0 1.0
OE2 A:GLU487 4.5 22.1 1.0
N A:LYS263 4.5 19.3 1.0
O A:ALA239 4.5 17.4 1.0
CA B:PHE472 4.6 20.8 1.0
O A:LYS263 4.8 17.9 1.0
CD2 B:PHE472 4.9 19.4 1.0
N B:PHE472 4.9 23.9 1.0
CB B:PHE472 5.0 19.7 1.0

Potassium binding site 6 out of 6 in 7uyy

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Potassium binding site 6 out of 6 in the The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of The Crystal Structure of the Pseudomonas Aeruginosa Aldehyde Dehydrogenase Encoded By the PA4189 Gene in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K503

b:52.4
occ:1.00
 O B:HOH834 3.2 36.7 1.0
O B:HOH768 3.4 46.6 1.0
NE B:ARG251 3.9 28.0 1.0
O B:HOH708 4.0 38.1 1.0
CB B:ALA248 4.1 15.8 1.0
CA B:ALA248 4.2 25.5 1.0
N B:ALA248 4.2 27.4 1.0
NH2 B:ARG251 4.5 33.1 1.0
CZ B:ARG251 4.6 28.7 1.0
CD B:ARG251 4.6 21.2 1.0
CB B:THR247 4.7 31.9 1.0
CG2 B:THR247 4.7 28.3 1.0
O B:HOH777 4.7 36.8 1.0
C B:THR247 4.8 27.4 1.0

Reference:

R.A.Munoz-Clares, A.Fernandez-Silva, A.L.Juarez-Vazquez, L.Gonzalez-Segura, J.A.Juarez-Diaz. The Uncharacterized Pseudomonas Aeruginosa PA4189 Is A Novel and Efficient Aminoacetaldehyde Dehydrogenase. Biochem.J. 2023.
ISSN: ESSN 1470-8728
PubMed: 36727473
DOI: 10.1042/BCJ20220567
Page generated: Mon Aug 12 21:25:42 2024

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