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Potassium in PDB 4cbb: Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa

Enzymatic activity of Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa

All present enzymatic activity of Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa:
1.2.1.8;

Protein crystallography data

The structure of Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa, PDB code: 4cbb 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) 29.824 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 332.320, 131.339, 100.815, 90.00, 95.02, 90.00
R / Rfree (%) 14.7 / 18.27

Potassium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 24;

Binding sites:

The binding sites of Potassium atom in the Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa (pdb code 4cbb). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 24 binding sites of Potassium where determined in the Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa, PDB code: 4cbb:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 24 in 4cbb

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Potassium binding site 1 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1497

b:19.3
occ:1.00
 O A:VAL180 2.6 17.9 1.0
O A:ASP93 2.7 18.1 1.0
O A:HOH2080 2.7 44.5 1.0
O A:ILE27 2.7 15.4 1.0
OG1 A:THR26 2.7 17.7 1.0
OD1 A:ASP93 2.8 21.9 1.0
O A:HOH2079 3.1 16.1 1.0
N A:ILE27 3.6 13.5 1.0
C A:ASP93 3.7 13.5 1.0
C A:ILE27 3.7 15.2 1.0
C A:VAL180 3.8 17.1 1.0
CG A:ASP93 3.8 20.1 1.0
O A:HOH2081 3.8 24.4 1.0
CA A:ASP93 4.0 14.9 1.0
CB A:THR26 4.0 18.5 1.0
CA A:ILE27 4.3 14.0 1.0
C A:THR26 4.3 14.2 1.0
CG2 A:THR181 4.4 12.4 1.0
CG1 A:VAL180 4.4 19.2 1.0
CA A:THR26 4.4 12.0 1.0
CB A:ASP93 4.5 15.8 1.0
CD1 A:LEU35 4.6 17.1 1.0
CA A:THR181 4.6 16.8 1.0
N A:THR181 4.7 16.9 1.0
OD2 A:ASP93 4.7 14.9 1.0
N A:ASN28 4.7 15.2 1.0
CA A:VAL180 4.8 12.8 1.0
O A:VAL329 4.8 17.0 1.0
CD A:PRO29 4.8 11.7 1.0
N A:THR94 4.9 12.2 1.0
O A:LEU92 5.0 14.8 1.0

Potassium binding site 2 out of 24 in 4cbb

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Potassium binding site 2 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1498

b:18.1
occ:1.00
 O A:LYS457 2.6 12.5 1.0
O B:LEU246 2.6 11.2 0.5
O B:LEU246 2.6 11.3 0.5
O A:GLY460 2.7 13.1 1.0
O B:HOH2298 2.8 22.5 1.0
O A:HOH2564 2.9 27.8 1.0
O A:HOH2566 3.3 22.3 1.0
C A:LYS457 3.6 10.6 1.0
C B:LEU246 3.8 13.5 0.5
C B:LEU246 3.8 13.6 0.5
C A:GLY460 3.9 12.6 1.0
CG2 A:VAL461 4.0 22.5 1.0
N A:LYS457 4.1 11.2 1.0
CA A:LYS457 4.1 10.6 1.0
CD2 B:LEU246 4.3 8.5 0.5
O A:HOH2565 4.3 17.8 1.0
CB B:LEU246 4.3 12.9 0.5
CB B:LEU246 4.4 13.1 0.5
OE1 B:GLU223 4.5 27.5 1.0
CA B:LYS247 4.6 8.7 1.0
N B:GLU248 4.6 9.2 1.0
O B:SER245 4.6 14.3 1.0
CG B:LEU246 4.6 13.1 0.5
N B:LYS247 4.6 8.2 1.0
C A:TYR456 4.6 12.4 1.0
C B:LYS247 4.7 11.2 1.0
CG B:GLU248 4.7 14.1 1.0
N A:GLY460 4.7 11.6 1.0
N A:VAL461 4.7 9.4 1.0
CA A:VAL461 4.7 10.6 1.0
CA B:LEU246 4.7 11.1 0.5
OE2 B:GLU248 4.7 29.7 1.0
N A:GLN458 4.8 8.1 1.0
CA B:LEU246 4.8 11.0 0.5
CA A:GLY460 4.9 13.2 1.0
O A:GLY455 4.9 11.8 1.0

Potassium binding site 3 out of 24 in 4cbb

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Potassium binding site 3 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1499

b:32.6
occ:1.00
 O3 A:PE41493 2.7 44.1 1.0
O A:HOH2595 2.8 51.5 1.0
O2 A:PE41493 2.9 38.3 1.0
O A:HOH2594 2.9 49.8 1.0
C8 A:PE41493 3.0 38.6 1.0
C10 A:PE41493 3.0 45.7 1.0
C13 A:PE41493 3.0 46.8 1.0
O4 A:PE41493 3.0 50.9 1.0
C12 A:PE41493 3.1 38.4 1.0
O7 A:PE41493 3.1 48.3 1.0
C6 A:PE41493 3.2 41.3 1.0
O5 A:PE41493 3.4 47.4 1.0
C5 A:PE41493 3.5 42.5 1.0
C4 A:PE41493 3.5 45.1 1.0
C9 A:PE41493 3.5 43.9 1.0
C3 A:PE41493 3.5 38.2 1.0
C11 A:PE41493 3.5 51.8 1.0
C7 A:PE41493 3.6 46.9 1.0
C2 A:PE41493 3.6 38.3 1.0
O6 A:PE41493 3.7 53.2 1.0
C1 A:PE41493 4.0 45.8 1.0
C14 A:PE41493 4.1 49.7 1.0
O8 A:PE41493 4.2 53.9 1.0
O1 A:PE41493 4.8 48.0 1.0

Potassium binding site 4 out of 24 in 4cbb

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Potassium binding site 4 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1499

b:19.8
occ:1.00
 O B:VAL180 2.6 20.4 1.0
O B:HOH2066 2.7 50.5 1.0
O B:ASP93 2.7 19.7 1.0
O B:ILE27 2.7 21.7 1.0
OG1 B:THR26 2.7 22.6 1.0
OD1 B:ASP93 2.8 21.0 1.0
O B:HOH2064 3.1 19.4 1.0
N B:ILE27 3.6 16.8 1.0
C B:ASP93 3.7 19.3 1.0
C B:ILE27 3.7 21.6 1.0
CG B:ASP93 3.8 22.3 1.0
C B:VAL180 3.9 21.2 1.0
CA B:ASP93 3.9 20.3 1.0
CB B:THR26 4.0 21.3 1.0
O B:HOH2065 4.2 36.5 1.0
C B:THR26 4.3 18.5 1.0
CA B:ILE27 4.3 15.8 1.0
CA B:THR26 4.4 19.2 1.0
CB B:ASP93 4.4 20.1 1.0
CG1 B:VAL180 4.5 24.8 1.0
CG2 B:THR181 4.5 16.5 1.0
CA B:THR181 4.6 14.7 1.0
CD1 B:LEU35 4.6 18.7 1.0
OD2 B:ASP93 4.7 18.6 1.0
CD B:PRO29 4.7 20.8 1.0
N B:THR181 4.7 17.4 1.0
N B:ASN28 4.7 17.9 1.0
CA B:VAL180 4.8 17.4 1.0
N B:THR94 4.9 18.8 1.0
O B:LEU92 4.9 21.1 1.0
O B:VAL329 5.0 21.1 1.0

Potassium binding site 5 out of 24 in 4cbb

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Potassium binding site 5 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1500

b:18.4
occ:1.00
 O B:LYS457 2.6 10.8 1.0
O A:LEU246 2.7 13.6 0.4
O A:LEU246 2.7 13.7 0.6
O B:GLY460 2.7 13.7 1.0
O A:HOH2345 2.7 21.5 1.0
O A:HOH2369 2.8 22.8 1.0
O A:HOH2347 3.2 23.9 1.0
C B:LYS457 3.6 11.1 1.0
C A:LEU246 3.8 13.6 0.4
C A:LEU246 3.8 13.7 0.6
CG2 B:VAL461 3.8 23.3 1.0
C B:GLY460 3.9 12.2 1.0
N B:LYS457 4.0 9.4 1.0
O A:HOH2346 4.1 19.1 1.0
CA B:LYS457 4.1 9.7 1.0
CD2 A:LEU246 4.4 20.4 0.6
CB A:LEU246 4.4 15.1 0.4
N A:GLU248 4.5 10.9 1.0
CB A:LEU246 4.5 15.1 0.6
CA A:LYS247 4.5 13.3 1.0
CG A:GLU248 4.6 22.2 1.0
C B:TYR456 4.6 11.9 1.0
C A:LYS247 4.6 15.2 1.0
OE2 A:GLU248 4.6 25.1 1.0
N A:LYS247 4.6 12.2 1.0
OE1 A:GLU223 4.6 25.7 1.0
O A:SER245 4.6 12.9 1.0
CA B:VAL461 4.6 9.0 1.0
N B:VAL461 4.7 9.4 1.0
N B:GLY460 4.7 12.8 1.0
CG A:LEU246 4.7 16.4 0.6
N B:GLN458 4.8 11.0 1.0
CA A:LEU246 4.8 13.7 0.4
O B:GLY455 4.8 12.9 1.0
CA A:LEU246 4.8 13.6 0.6
CA B:GLY460 4.9 12.1 1.0
CB B:VAL461 4.9 18.1 1.0
CD A:GLU248 4.9 24.9 1.0
O A:GLU223 5.0 12.8 1.0

Potassium binding site 6 out of 24 in 4cbb

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Potassium binding site 6 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1501

b:42.0
occ:1.00
 O8 B:PE41493 2.7 58.1 1.0
O6 B:PE41493 2.8 54.3 1.0
O7 B:PE41493 2.9 53.0 1.0
O B:HOH2261 3.0 49.5 1.0
O3 B:PE41493 3.1 57.3 1.0
O4 B:PE41493 3.1 62.5 1.0
C6 B:PE41493 3.3 61.4 1.0
O B:HOH2468 3.3 60.1 1.0
O5 B:PE41493 3.5 54.1 1.0
C4 B:PE41493 3.6 49.8 1.0
C12 B:PE41493 3.6 52.3 1.0
C16 B:PE41493 3.6 45.3 1.0
C14 B:PE41493 3.6 57.6 1.0
C13 B:PE41493 3.6 55.1 1.0
C3 B:PE41493 3.7 50.9 1.0
C11 B:PE41493 3.7 54.2 1.0
C15 B:PE41493 3.7 50.8 1.0
C5 B:PE41493 3.8 60.1 1.0
C7 B:PE41493 3.8 56.8 1.0
C10 B:PE41493 3.8 54.7 1.0
O2 B:PE41493 3.9 57.5 1.0
C9 B:PE41493 3.9 52.8 1.0
C8 B:PE41493 4.2 52.7 1.0

Potassium binding site 7 out of 24 in 4cbb

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Potassium binding site 7 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1499

b:26.0
occ:1.00
 O C:VAL180 2.6 23.6 1.0
OG1 C:THR26 2.7 22.9 1.0
O C:ASP93 2.7 24.9 1.0
O C:ILE27 2.7 22.6 1.0
O C:HOH2056 2.7 58.1 1.0
OD1 C:ASP93 2.8 26.9 1.0
O C:HOH2054 3.1 23.1 1.0
C C:ASP93 3.6 21.9 1.0
N C:ILE27 3.7 23.6 1.0
O C:HOH2055 3.7 39.8 1.0
C C:ILE27 3.7 22.9 1.0
CG C:ASP93 3.7 26.2 1.0
C C:VAL180 3.8 23.9 1.0
CA C:ASP93 3.9 19.4 1.0
CB C:THR26 4.0 24.9 1.0
C C:THR26 4.3 23.9 1.0
CA C:ILE27 4.3 23.6 1.0
CA C:THR26 4.4 20.1 1.0
CB C:ASP93 4.4 23.9 1.0
CG2 C:THR181 4.5 24.4 1.0
CG1 C:VAL180 4.5 25.6 1.0
CA C:THR181 4.6 20.9 1.0
CD1 C:LEU35 4.6 20.4 1.0
OD2 C:ASP93 4.6 25.9 1.0
N C:THR181 4.7 21.6 1.0
N C:ASN28 4.7 26.2 1.0
CD C:PRO29 4.8 20.4 1.0
CA C:VAL180 4.8 22.6 1.0
N C:THR94 4.9 19.9 0.2
N C:THR94 4.9 18.4 0.8
O C:VAL329 4.9 22.6 1.0
CG2 C:THR26 5.0 23.1 1.0

Potassium binding site 8 out of 24 in 4cbb

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Potassium binding site 8 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase 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 Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1500

b:19.7
occ:1.00
 O C:LYS457 2.6 16.2 1.0
O C:HOH2400 2.6 27.0 1.0
O D:LEU246 2.7 16.4 1.0
O C:GLY460 2.8 14.2 1.0
O D:HOH2241 2.8 24.1 1.0
O C:HOH2403 3.0 24.2 1.0
C C:LYS457 3.6 13.6 1.0
CG1 C:VAL461 3.7 21.1 0.4
C D:LEU246 3.8 18.2 1.0
CG2 C:VAL461 3.9 21.2 0.6
C C:GLY460 4.0 16.9 1.0
N C:LYS457 4.0 12.9 1.0
O C:HOH2402 4.1 23.3 1.0
CA C:LYS457 4.1 11.8 1.0
O C:HOH2405 4.4 40.7 1.0
CA D:LYS247 4.5 15.0 1.0
N D:GLU248 4.5 12.7 1.0
CB D:LEU246 4.5 18.5 1.0
OE1 D:GLU223 4.6 30.6 1.0
OE2 D:GLU248 4.6 25.8 1.0
C D:LYS247 4.6 16.5 1.0
CG D:GLU248 4.6 23.5 1.0
N D:LYS247 4.6 12.8 1.0
O D:SER245 4.6 17.7 1.0
C C:TYR456 4.6 15.3 1.0
CA C:VAL461 4.7 13.9 0.4
CA C:VAL461 4.7 14.8 0.6
N C:VAL461 4.7 15.7 0.4
N C:GLN458 4.8 14.9 1.0
N C:VAL461 4.8 10.5 0.6
CB C:VAL461 4.8 16.6 0.4
N C:GLY460 4.8 15.1 1.0
CA D:LEU246 4.8 12.3 1.0
O C:GLY455 4.8 15.7 1.0
CD D:GLU248 4.9 24.4 1.0
CA C:GLY460 5.0 15.6 1.0
CB C:VAL461 5.0 15.2 0.6

Potassium binding site 9 out of 24 in 4cbb

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Potassium binding site 9 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 9 of Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1501

b:38.9
occ:1.00
 O8 C:PE41494 2.9 64.4 1.0
O5 C:PE41494 2.9 56.8 1.0
C7 C:PE41494 3.0 56.3 1.0
C5 C:PE41494 3.0 60.2 1.0
C1 C:PE41494 3.1 50.1 1.0
O2 C:PE41494 3.1 55.0 1.0
O C:HOH2432 3.2 46.6 1.0
C9 C:PE41494 3.2 55.8 1.0
O7 C:PE41494 3.3 62.4 1.0
C2 C:PE41494 3.3 48.1 1.0
C3 C:PE41494 3.3 54.3 1.0
O6 C:PE41494 3.3 58.6 1.0
O1 C:PE41494 3.5 51.8 1.0
C8 C:PE41494 3.5 55.7 1.0
O4 C:PE41494 3.6 59.7 1.0
C10 C:PE41494 3.7 56.1 1.0
C15 C:PE41494 3.7 63.1 1.0
C6 C:PE41494 3.7 60.2 1.0
C11 C:PE41494 3.8 57.9 1.0
O3 C:PE41494 3.9 62.0 1.0
C14 C:PE41494 4.0 65.4 1.0
C4 C:PE41494 4.1 57.2 1.0
C12 C:PE41494 4.2 62.5 1.0
C13 C:PE41494 4.2 64.0 1.0
C16 C:PE41494 4.7 62.6 1.0

Potassium binding site 10 out of 24 in 4cbb

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Potassium binding site 10 out of 24 in the Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 10 of Apo Form of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1497

b:23.8
occ:1.00
 O D:ILE27 2.6 24.8 1.0
O D:VAL180 2.6 23.1 1.0
OG1 D:THR26 2.7 24.4 1.0
O D:ASP93 2.7 21.5 1.0
OD1 D:ASP93 2.9 22.7 1.0
O D:HOH2052 3.0 22.9 1.0
N D:ILE27 3.6 22.3 1.0
C D:ILE27 3.6 23.2 1.0
C D:ASP93 3.7 18.6 1.0
C D:VAL180 3.9 25.7 1.0
CG D:ASP93 3.9 26.8 1.0
O D:HOH2053 3.9 33.1 1.0
CA D:ASP93 4.0 23.3 1.0
CB D:THR26 4.0 22.7 1.0
C D:THR26 4.2 24.2 1.0
CA D:ILE27 4.2 23.5 1.0
CA D:THR26 4.4 24.2 1.0
CG2 D:THR181 4.5 20.2 1.0
CB D:ASP93 4.5 24.2 1.0
CG1 D:VAL180 4.5 25.2 1.0
CA D:THR181 4.6 18.8 1.0
N D:ASN28 4.7 23.7 1.0
N D:THR181 4.7 18.4 1.0
CD D:PRO29 4.8 28.6 1.0
OD2 D:ASP93 4.8 23.7 1.0
CA D:VAL180 4.8 20.9 1.0
CD1 D:LEU35 4.8 24.2 1.0
O D:VAL329 4.9 23.9 1.0
N D:THR94 4.9 19.0 1.0
O D:HOH2047 4.9 28.8 1.0
O D:LEU92 5.0 21.2 1.0
CB D:ILE27 5.0 26.1 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 23:29:38 2020

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