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Potassium in PDB 4caz: Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh

Enzymatic activity of Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh

All present enzymatic activity of Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh:
1.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh, PDB code: 4caz was solved by L.Gonzalez-Segura, A.G.Diaz-Sanchez, R.A.Munoz-Clares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.732 / 2.55
Space group P 31 2 1
Cell size a, b, c (Å), α, β, γ (°) 157.854, 157.854, 107.284, 90.00, 90.00, 120.00
R / Rfree (%) 13.91 / 18.07

Potassium Binding Sites:

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

Potassium binding site 1 out of 6 in 4caz

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Potassium binding site 1 out of 6 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa 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 Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1512

b:31.4
occ:1.00
 O A:VAL180 2.6 29.7 1.0
OG1 A:THR26 2.7 26.7 1.0
O A:ASP93 2.8 31.1 1.0
OD1 A:ASP93 2.8 32.0 1.0
O A:ILE27 2.8 27.0 1.0
O A:HOH2039 3.1 20.4 1.0
O A:HOH2040 3.4 36.4 1.0
N A:ILE27 3.6 28.5 1.0
C A:ILE27 3.8 31.1 1.0
C A:ASP93 3.8 27.1 1.0
C A:VAL180 3.8 32.8 1.0
CG A:ASP93 3.9 32.8 1.0
CB A:THR26 4.0 23.9 1.0
CA A:ASP93 4.1 20.9 1.0
CA A:ILE27 4.3 31.7 1.0
C A:THR26 4.3 25.0 1.0
CG1 A:VAL180 4.4 25.4 1.0
CA A:THR26 4.4 26.4 1.0
CG2 A:THR181 4.5 23.4 1.0
CB A:ASP93 4.6 22.7 1.0
CD A:PRO29 4.6 25.0 1.0
CA A:VAL180 4.7 28.2 1.0
CD1 A:LEU35 4.7 28.0 1.0
N A:THR181 4.7 26.9 1.0
OD2 A:ASP93 4.7 32.3 1.0
CA A:THR181 4.8 21.0 1.0
N A:ASN28 4.8 28.5 1.0
O A:VAL329 4.8 34.8 1.0
O A:HOH2036 4.9 38.8 1.0

Potassium binding site 2 out of 6 in 4caz

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Potassium binding site 2 out of 6 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa 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 Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1513

b:26.2
occ:1.00
 O A:LEU246 2.7 26.7 1.0
OE2 A:GLU248 3.0 48.8 1.0
OE2 A:GLU223 3.0 31.8 1.0
O A:HOH2160 3.1 24.7 1.0
OE1 A:GLU248 3.7 48.7 1.0
CD A:GLU248 3.7 42.1 1.0
C A:LEU246 3.9 25.6 1.0
O A:HOH2161 3.9 29.2 1.0
C2 A:EDO1505 4.2 55.0 1.0
CD A:GLU223 4.2 40.5 1.0
CD2 A:LEU246 4.3 37.5 1.0
CB A:LEU246 4.5 23.2 1.0
CA A:LYS247 4.6 21.1 1.0
CG A:LEU246 4.7 35.2 1.0
N A:GLU248 4.7 14.9 1.0
O A:SER245 4.7 27.8 1.0
N A:LYS247 4.7 16.3 1.0
OE1 A:GLU223 4.7 40.6 1.0
C A:LYS247 4.8 19.2 1.0
CA A:LEU246 4.9 24.8 1.0

Potassium binding site 3 out of 6 in 4caz

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Potassium binding site 3 out of 6 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa 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 Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1514

b:69.1
occ:1.00
 C6 A:PE41511 3.0 76.5 1.0
O3 A:PE41511 3.0 66.3 1.0
C11 A:PE41511 3.1 71.9 1.0
O7 A:PE41511 3.1 79.2 1.0
C8 A:PE41511 3.1 77.4 1.0
C9 A:PE41511 3.2 77.5 1.0
C3 A:PE41511 3.2 67.0 1.0
C1 A:PE41511 3.2 65.8 1.0
C4 A:PE41511 3.2 65.1 1.0
C10 A:PE41511 3.2 81.2 1.0
C12 A:PE41511 3.3 78.5 1.0
O1 A:PE41511 3.3 68.3 1.0
O5 A:PE41511 3.4 69.6 1.0
C2 A:PE41511 3.4 62.8 1.0
C16 A:PE41511 3.5 73.5 1.0
C15 A:PE41511 3.5 79.1 1.0
C5 A:PE41511 3.5 71.7 1.0
O8 A:PE41511 3.6 86.4 1.0
O6 A:PE41511 3.7 79.6 1.0
C7 A:PE41511 3.7 84.5 1.0
C14 A:PE41511 3.8 83.3 1.0
O2 A:PE41511 3.8 67.7 1.0
O4 A:PE41511 3.9 81.5 1.0
C13 A:PE41511 4.0 80.7 1.0

Potassium binding site 4 out of 6 in 4caz

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Potassium binding site 4 out of 6 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa 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 Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1506

b:48.8
occ:1.00
 O B:VAL180 2.6 49.4 1.0
O B:ASP93 2.7 50.0 1.0
OD1 B:ASP93 2.8 59.4 1.0
OG1 B:THR26 2.8 51.7 1.0
O B:ILE27 2.8 48.7 1.0
O B:HOH2018 2.9 45.6 1.0
O B:HOH2019 3.4 45.9 1.0
N B:ILE27 3.6 49.9 1.0
CG B:ASP93 3.7 61.1 1.0
C B:ILE27 3.7 43.9 1.0
C B:ASP93 3.7 44.4 1.0
C B:VAL180 3.8 45.0 1.0
CA B:ASP93 4.0 43.9 1.0
CB B:THR26 4.1 48.9 1.0
CA B:ILE27 4.3 45.4 1.0
C B:THR26 4.3 50.5 1.0
CG1 B:VAL180 4.3 49.5 1.0
CB B:ASP93 4.4 50.7 1.0
OD2 B:ASP93 4.5 66.2 1.0
CA B:THR26 4.5 47.7 1.0
CG2 B:THR181 4.6 41.4 1.0
N B:ASN28 4.7 44.3 1.0
CA B:VAL180 4.7 44.7 1.0
CD1 B:LEU35 4.7 48.3 1.0
CD B:PRO29 4.7 42.3 1.0
N B:THR181 4.7 48.9 1.0
CA B:THR181 4.8 48.2 1.0
N B:THR94 4.9 36.5 1.0

Potassium binding site 5 out of 6 in 4caz

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Potassium binding site 5 out of 6 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa 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 Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1507

b:35.6
occ:1.00
 O B:LEU246 2.7 30.3 1.0
OE2 B:GLU248 2.8 55.5 1.0
OE2 B:GLU223 3.2 55.5 1.0
O B:HOH2110 3.5 37.4 1.0
CD B:GLU248 3.9 52.0 1.0
C B:LEU246 3.9 35.1 1.0
CD2 B:LEU246 4.2 45.5 1.0
CD B:GLU223 4.4 56.5 1.0
CB B:LEU246 4.6 40.8 1.0
OE1 B:GLU248 4.6 56.1 1.0
CA B:LYS247 4.6 31.6 1.0
C B:LYS247 4.6 37.5 1.0
N B:GLU248 4.7 34.4 1.0
CG B:LEU246 4.7 44.2 1.0
O B:HOH2122 4.7 52.3 1.0
N B:LYS247 4.7 29.9 1.0
CG B:GLU248 4.8 50.9 1.0
O B:SER245 4.8 45.3 1.0
CA B:LEU246 4.9 41.0 1.0

Potassium binding site 6 out of 6 in 4caz

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Potassium binding site 6 out of 6 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa 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 Crystal Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa in Complex with Nadh within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1508

b:68.5
occ:1.00
 O8 B:PE41505 2.7 99.4 1.0
O3 B:PE41505 2.8 80.2 1.0
O4 B:PE41505 3.0 78.5 1.0
C8 B:PE41505 3.1 81.9 1.0
C2 B:PE41505 3.1 65.1 1.0
O6 B:PE41505 3.1 79.2 1.0
C12 B:PE41505 3.1 72.4 1.0
C9 B:PE41505 3.2 73.2 1.0
O1 B:PE41505 3.3 63.4 1.0
O5 B:PE41505 3.3 77.7 1.0
C14 B:PE41505 3.3 96.2 1.0
C1 B:PE41505 3.4 62.2 1.0
C3 B:PE41505 3.4 82.6 1.0
C7 B:PE41505 3.4 79.2 1.0
O2 B:EDO1495 3.7 69.1 1.0
C6 B:PE41505 3.7 75.8 1.0
C4 B:PE41505 3.7 83.9 1.0
C11 B:PE41505 3.7 72.8 1.0
C10 B:PE41505 3.7 80.7 1.0
O7 B:PE41505 3.7 84.7 1.0
O2 B:PE41505 3.8 77.8 1.0
C5 B:PE41505 3.9 72.8 1.0
C15 B:PE41505 3.9 96.1 1.0
C13 B:PE41505 4.0 93.3 1.0
C16 B:PE41505 4.1 90.0 1.0
C2 B:EDO1495 5.0 67.4 1.0

Reference:

A.G.Diaz-Sanchez, L.Gonzalez-Segura, R.Rodriguez-Sotres, C.Mujica-Jimenez, R.A.Munoz-Clares. The Structural Bases of the Dual Coenzyme Specificity of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa To Be Published.
Page generated: Sun Dec 13 23:29:34 2020

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