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Potassium in PDB 2xdr: Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa

Enzymatic activity of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa

All present enzymatic activity of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa:
1.2.1.8;

Protein crystallography data

The structure of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa, PDB code: 2xdr was solved by A.G.Diaz-Sanchez, L.Gonzalez-Segura, E.Rudino-Pinera, A.Lira-Rocha, R.A.Munoz-Clares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.881 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 151.555, 151.555, 242.406, 90.00, 90.00, 120.00
R / Rfree (%) 16.03 / 19.97

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa (pdb code 2xdr). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa, PDB code: 2xdr:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 2xdr

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Potassium binding site 1 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1493

b:30.7
occ:1.00
 O A:VAL180 2.8 25.3 1.0
O A:ASP93 2.9 20.0 1.0
O A:ILE27 2.9 27.5 1.0
OG1 A:THR26 3.0 24.0 1.0
OD1 A:ASP93 3.1 26.8 1.0
O A:HOH2065 3.2 25.4 1.0
O A:HOH2388 3.3 82.6 1.0
N A:ILE27 3.6 19.6 1.0
C A:ILE27 3.8 31.4 1.0
C A:ASP93 3.9 26.5 1.0
CG A:ASP93 4.0 27.9 1.0
C A:VAL180 4.0 27.9 1.0
O A:HOH2387 4.1 37.0 1.0
CA A:ASP93 4.1 16.6 1.0
CB A:THR26 4.2 24.4 1.0
CA A:ILE27 4.3 24.4 1.0
C A:THR26 4.3 28.6 1.0
CG1 A:VAL180 4.4 23.2 1.0
CG2 A:THR181 4.4 17.7 1.0
CA A:THR26 4.5 26.7 1.0
CB A:ASP93 4.6 17.7 1.0
CA A:THR181 4.7 22.4 1.0
CD A:PRO29 4.7 25.9 1.0
N A:ASN28 4.8 25.9 1.0
OD2 A:ASP93 4.8 29.8 1.0
CD1 A:LEU35 4.8 23.0 1.0
N A:THR181 4.9 24.3 1.0
CA A:VAL180 4.9 19.1 1.0

Potassium binding site 2 out of 8 in 2xdr

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Potassium binding site 2 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1494

b:48.4
occ:1.00
 O A:LYS457 2.8 25.3 1.0
O A:GLY460 3.0 23.9 1.0
O B:LEU246 3.0 37.1 1.0
O B:HOH2249 3.3 46.7 1.0
O B:HOH2259 3.5 44.0 1.0
O B:HOH2261 3.5 78.5 1.0
C A:LYS457 3.7 19.2 1.0
N A:LYS457 3.9 23.9 1.0
C B:LEU246 4.0 38.9 1.0
CA A:LYS457 4.0 18.1 1.0
O B:HOH2366 4.1 28.9 1.0
C A:GLY460 4.2 35.6 1.0
CG2 A:VAL461 4.4 34.6 1.0
CB B:LEU246 4.4 33.4 1.0
C A:TYR456 4.5 25.3 1.0
O B:SER245 4.5 37.2 1.0
OE1 B:GLU223 4.6 44.3 1.0
CA B:LYS247 4.7 32.0 1.0
O A:GLY455 4.8 22.4 1.0
N A:GLN458 4.8 22.7 1.0
N B:LYS247 4.8 36.1 1.0
OE2 B:GLU248 4.8 45.9 1.0
N A:GLY460 4.8 18.7 1.0
CA A:VAL461 4.9 24.6 1.0
O A:TYR456 4.9 22.4 1.0
CA B:LEU246 4.9 40.0 1.0
N B:GLU248 4.9 25.6 1.0
O A:HOH2508 4.9 32.9 1.0
C B:LYS247 4.9 31.2 1.0
N A:VAL461 5.0 34.7 1.0

Potassium binding site 3 out of 8 in 2xdr

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Potassium binding site 3 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K5500

b:68.1
occ:1.00
 O B:LYS457 2.9 35.5 1.0
O A:LEU246 3.1 45.2 1.0
O B:GLY460 3.1 32.2 1.0
O A:HOH2315 3.3 40.6 1.0
O A:HOH2308 3.4 55.9 1.0
O A:HOH2319 3.5 62.9 1.0
C B:LYS457 3.7 39.9 1.0
C A:LEU246 4.0 43.8 1.0
N B:LYS457 4.0 33.8 1.0
CA B:LYS457 4.1 37.3 1.0
O A:HOH2522 4.2 44.9 1.0
CG2 B:VAL461 4.3 41.0 1.0
C B:GLY460 4.3 41.4 1.0
OE1 A:GLU223 4.4 44.8 1.0
O A:SER245 4.4 37.0 1.0
CB A:LEU246 4.4 33.9 1.0
CA A:LYS247 4.6 31.9 1.0
C B:TYR456 4.7 32.3 1.0
N A:LYS247 4.7 39.8 1.0
N B:GLN458 4.8 32.9 1.0
N A:GLU248 4.8 31.6 1.0
CA A:LEU246 4.9 36.1 1.0
C A:LYS247 4.9 34.0 1.0
N B:GLY460 5.0 31.5 1.0

Potassium binding site 4 out of 8 in 2xdr

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Potassium binding site 4 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K5501

b:50.7
occ:1.00
 O B:VAL180 2.8 38.6 1.0
O B:ASP93 2.9 38.0 1.0
OG1 B:THR26 3.0 34.3 1.0
O B:ILE27 3.2 46.6 1.0
OD1 B:ASP93 3.2 42.0 1.0
O B:HOH2051 3.4 38.0 1.0
N B:ILE27 3.6 39.3 1.0
O B:HOH2293 3.7 67.9 1.0
C B:ASP93 3.9 38.3 1.0
C B:ILE27 3.9 44.7 1.0
C B:VAL180 4.0 45.2 1.0
CG B:ASP93 4.0 38.5 1.0
CA B:ASP93 4.1 32.2 1.0
CB B:THR26 4.2 34.6 1.0
CG1 B:VAL180 4.3 37.6 1.0
C B:THR26 4.3 39.7 1.0
CG2 B:THR181 4.3 41.0 1.0
CA B:ILE27 4.3 44.5 1.0
CD B:PRO29 4.5 32.2 1.0
CA B:THR26 4.5 35.6 1.0
CB B:ASP93 4.6 38.7 1.0
CA B:THR181 4.7 34.5 1.0
CD1 B:LEU35 4.7 42.0 1.0
O B:VAL329 4.8 48.1 1.0
OD2 B:ASP93 4.8 44.0 1.0
N B:THR181 4.8 38.2 1.0
CA B:VAL180 4.8 35.0 1.0
N B:ASN28 4.9 43.4 1.0

Potassium binding site 5 out of 8 in 2xdr

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Potassium binding site 5 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1496

b:58.6
occ:1.00
 O C:VAL180 2.9 45.2 1.0
O C:ASP93 3.0 56.8 1.0
OD1 C:ASP93 3.1 36.2 1.0
O C:ILE27 3.3 80.4 1.0
OG1 C:THR26 3.3 64.5 1.0
O C:HOH2024 3.4 42.4 1.0
O C:HOH2218 3.6 74.1 1.0
N C:ILE27 3.7 48.6 1.0
C C:ASP93 3.8 48.1 1.0
C C:ILE27 3.9 65.8 1.0
C C:VAL180 4.1 43.1 1.0
CA C:ASP93 4.1 41.1 1.0
CG C:ASP93 4.2 44.5 1.0
CB C:THR26 4.3 54.3 1.0
CA C:ILE27 4.4 58.9 1.0
C C:THR26 4.4 49.7 1.0
CG2 C:THR181 4.4 39.2 1.0
CG1 C:VAL180 4.5 52.8 1.0
CA C:THR26 4.6 51.4 1.0
CD C:PRO29 4.6 51.4 1.0
O C:VAL329 4.6 50.1 1.0
N C:ASN28 4.8 58.4 1.0
CB C:ASP93 4.8 48.1 1.0
CD1 C:LEU35 4.8 55.8 1.0
CA C:THR181 4.8 39.0 1.0
N C:THR94 4.9 49.3 1.0
CB C:ILE27 5.0 53.3 1.0
N C:THR181 5.0 40.9 1.0

Potassium binding site 6 out of 8 in 2xdr

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Potassium binding site 6 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1497

b:74.3
occ:1.00
 O C:LYS457 3.1 38.3 1.0
O D:LEU246 3.2 53.2 1.0
O C:GLY460 3.2 29.6 1.0
O D:HOH2260 3.3 40.6 1.0
O D:HOH2262 3.4 59.1 1.0
O D:HOH2272 3.4 79.6 1.0
O D:HOH2379 3.9 54.0 1.0
C C:LYS457 4.0 28.8 1.0
C D:LEU246 4.1 46.9 1.0
CG2 C:VAL461 4.2 45.9 1.0
N C:LYS457 4.2 37.0 1.0
CA C:LYS457 4.3 26.1 1.0
C C:GLY460 4.4 34.2 1.0
CB D:LEU246 4.4 40.6 1.0
O D:SER245 4.6 37.3 1.0
CA D:LYS247 4.7 36.2 1.0
N D:LYS247 4.7 42.2 1.0
OE1 D:GLU223 4.8 48.3 1.0
N D:GLU248 4.9 33.5 1.0
C D:LYS247 4.9 31.9 1.0
C C:TYR456 4.9 33.0 1.0
OE2 D:GLU248 4.9 52.0 1.0
CA C:VAL461 4.9 36.2 1.0
CA D:LEU246 4.9 44.8 1.0
CG D:GLU248 5.0 50.3 1.0

Potassium binding site 7 out of 8 in 2xdr

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Potassium binding site 7 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1495

b:41.1
occ:1.00
 O D:VAL180 2.8 23.8 1.0
O D:ASP93 2.9 32.2 1.0
O D:ILE27 3.0 28.4 1.0
OG1 D:THR26 3.1 31.3 1.0
OD1 D:ASP93 3.2 37.4 1.0
O D:HOH2062 3.2 24.0 1.0
O D:HOH2063 3.5 53.8 1.0
N D:ILE27 3.6 27.8 1.0
C D:ILE27 3.8 33.8 1.0
C D:ASP93 3.8 30.7 1.0
CG D:ASP93 4.0 35.4 1.0
C D:VAL180 4.0 34.6 1.0
CA D:ASP93 4.0 27.9 1.0
CB D:THR26 4.2 27.0 1.0
CA D:ILE27 4.3 36.3 1.0
C D:THR26 4.3 29.0 1.0
CG2 D:THR181 4.4 19.8 1.0
CG1 D:VAL180 4.5 27.5 1.0
CA D:THR26 4.5 29.6 1.0
CB D:ASP93 4.6 36.5 1.0
CD D:PRO29 4.6 28.4 1.0
CD1 D:LEU35 4.6 33.0 1.0
O D:VAL329 4.7 35.6 1.0
OD2 D:ASP93 4.7 36.7 1.0
N D:ASN28 4.8 35.6 1.0
CA D:THR181 4.8 32.7 1.0
CA D:VAL180 4.9 24.6 1.0
N D:THR181 4.9 33.9 1.0
O D:LEU92 5.0 36.0 1.0

Potassium binding site 8 out of 8 in 2xdr

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Potassium binding site 8 out of 8 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Crystallographic Structure of Betaine Aldehyde Dehydrogenase Mutant E252A From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1496

b:67.9
occ:1.00
 O D:GLY460 2.9 29.2 1.0
O D:LYS457 2.9 43.5 1.0
O C:LEU246 3.1 34.9 1.0
O C:HOH2181 3.5 43.2 1.0
O C:HOH2184 3.5 70.8 1.0
C D:LYS457 3.7 32.6 1.0
N D:LYS457 3.9 29.2 1.0
O D:HOH2368 3.9 43.1 1.0
CA D:LYS457 4.0 35.0 1.0
C D:GLY460 4.1 38.1 1.0
C C:LEU246 4.2 38.4 1.0
CG2 D:VAL461 4.3 36.9 1.0
OE1 C:GLU223 4.3 72.4 1.0
CB C:LEU246 4.4 36.6 1.0
C D:TYR456 4.4 29.1 1.0
O D:GLY455 4.6 26.2 1.0
O C:SER245 4.6 42.1 1.0
O D:HOH2369 4.8 33.4 1.0
CA D:VAL461 4.8 25.6 1.0
N D:GLN458 4.8 30.5 1.0
N D:GLY460 4.8 31.8 1.0
OE2 C:GLU248 4.8 54.4 1.0
O D:TYR456 4.9 30.5 1.0
N D:VAL461 4.9 35.7 1.0
CA C:LEU246 5.0 42.5 1.0

Reference:

A.G.Diaz-Sanchez, L.Gonzalez-Segura, E.Rudino-Pinera, A.Lira-Rocha, R.A.Munoz-Clares. A Novel Cysteine-Nadph Covalent Adduct in Pseudomonas Aeruginosa Betaine Aldehyde Dehydrogenase Suggests Important Roles For the Reduced Nucleotide in the Reaction Mechanism To Be Published.
Page generated: Mon Aug 12 07:37:24 2024

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