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Potassium in PDB 2wme: Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa

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

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

Protein crystallography data

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

Resolution Low / High (Å) 42.68 / 2.10
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 334.947, 133.011, 101.814, 90.00, 94.94, 90.00
R / Rfree (%) 16.598 / 21.123

Potassium Binding Sites:

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 16;

Binding sites:

The binding sites of Potassium atom in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa (pdb code 2wme). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 16 binding sites of Potassium where determined in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa, PDB code: 2wme:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Potassium binding site 1 out of 16 in 2wme

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Potassium binding site 1 out of 16 in the Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa


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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 From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1493

b:20.6
occ:1.00
 O A:VAL180 2.6 19.1 1.0
O A:ILE27 2.7 19.1 1.0
O A:ASP93 2.7 19.0 1.0
OD1 A:ASP93 2.8 19.0 1.0
OG1 A:THR26 2.9 17.4 1.0
O A:HOH2033 3.1 15.4 1.0
O A:HOH2279 3.6 23.4 1.0
N A:ILE27 3.6 20.0 1.0
C A:ASP93 3.7 17.8 1.0
C A:ILE27 3.7 20.1 1.0
CG A:ASP93 3.8 19.4 1.0
C A:VAL180 3.9 19.7 1.0
CA A:ASP93 4.0 17.9 1.0
CB A:THR26 4.2 20.2 1.0
CA A:ILE27 4.3 20.4 1.0
C A:THR26 4.4 19.7 1.0
CB A:ASP93 4.5 16.2 1.0
CG1 A:VAL180 4.5 16.4 1.0
CA A:THR26 4.5 19.6 1.0
CG2 A:THR181 4.6 19.7 1.0
OD2 A:ASP93 4.6 20.7 1.0
CA A:THR181 4.7 20.8 1.0
CD A:PRO29 4.7 17.9 1.0
CD1 A:LEU35 4.7 12.4 1.0
N A:THR181 4.7 19.8 1.0
O A:VAL329 4.8 16.2 1.0
CA A:VAL180 4.8 19.9 1.0
N A:ASN28 4.8 19.7 1.0
N A:THR94 4.9 18.0 1.0
CB A:ILE27 4.9 22.4 1.0

Potassium binding site 2 out of 16 in 2wme

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Potassium binding site 2 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1494

b:17.5
occ:1.00
 O B:LEU246 2.7 17.5 0.5
O A:LYS457 2.7 12.6 1.0
O B:LEU246 2.7 17.5 0.5
O A:GLY460 2.7 16.2 1.0
O A:HOH2376 2.8 29.8 1.0
O B:HOH2207 2.8 14.9 1.0
O B:HOH2220 3.5 19.8 1.0
C A:LYS457 3.7 12.7 1.0
C B:LEU246 3.9 17.8 0.5
C A:GLY460 3.9 17.2 1.0
C B:LEU246 3.9 17.9 0.5
CG2 A:VAL461 4.0 21.4 1.0
O B:HOH2209 4.1 22.7 1.0
N A:LYS457 4.1 10.8 1.0
CA A:LYS457 4.2 12.2 1.0
CB B:LEU246 4.4 17.3 0.5
N B:GLU248 4.5 18.3 1.0
CB B:LEU246 4.5 17.6 0.5
CG B:GLU248 4.6 20.8 1.0
CA B:LYS247 4.6 18.2 1.0
CD2 B:LEU246 4.6 17.2 0.5
N A:VAL461 4.7 16.5 1.0
CA A:VAL461 4.7 18.4 1.0
C B:LYS247 4.7 17.7 1.0
N B:LYS247 4.7 17.2 1.0
OE1 B:GLU223 4.8 28.4 1.0
C A:TYR456 4.8 10.7 1.0
OE2 B:GLU248 4.8 33.0 1.0
CA B:LEU246 4.8 16.9 0.5
O B:SER245 4.8 18.0 1.0
N A:GLN458 4.8 12.8 1.0
N A:GLY460 4.9 15.0 1.0
CA B:LEU246 4.9 17.1 0.5
CG B:LEU246 4.9 17.7 0.5
CA A:GLY460 5.0 15.5 1.0
CB A:VAL461 5.0 18.5 1.0

Potassium binding site 3 out of 16 in 2wme

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Potassium binding site 3 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1493

b:18.0
occ:1.00
 O B:VAL180 2.6 19.6 1.0
OG1 B:THR26 2.7 22.7 1.0
O B:ILE27 2.8 18.2 1.0
OD1 B:ASP93 2.8 18.9 1.0
O B:ASP93 2.8 17.3 1.0
O B:HOH2042 3.0 15.3 1.0
N B:ILE27 3.7 19.8 1.0
C B:ASP93 3.7 17.1 1.0
CG B:ASP93 3.8 16.9 1.0
C B:ILE27 3.8 19.5 1.0
C B:VAL180 3.9 21.2 1.0
CA B:ASP93 4.0 16.6 1.0
O B:HOH2277 4.1 31.4 1.0
CB B:THR26 4.1 19.2 1.0
CA B:ILE27 4.4 19.6 1.0
C B:THR26 4.4 18.3 1.0
CB B:ASP93 4.4 16.9 1.0
CA B:THR26 4.5 19.1 1.0
CD1 B:LEU35 4.6 17.1 1.0
CG2 B:THR181 4.6 19.8 1.0
CG1 B:VAL180 4.6 19.1 1.0
CA B:THR181 4.7 20.8 1.0
OD2 B:ASP93 4.7 14.6 1.0
N B:THR181 4.7 21.1 1.0
CD B:PRO29 4.8 19.4 1.0
CA B:VAL180 4.8 21.0 1.0
N B:ASN28 4.8 19.3 1.0
O B:VAL329 4.9 20.8 1.0
N B:THR94 5.0 17.6 1.0

Potassium binding site 4 out of 16 in 2wme

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Potassium binding site 4 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1494

b:16.0
occ:1.00
 O A:HOH2206 2.7 10.8 1.0
O B:GLY460 2.7 17.0 1.0
O B:LYS457 2.7 10.3 1.0
O B:HOH2365 2.7 20.6 1.0
O A:LEU246 2.7 20.3 0.5
O A:LEU246 2.8 20.6 0.5
O A:HOH2219 3.5 18.5 1.0
C B:LYS457 3.8 11.5 1.0
C B:GLY460 3.9 16.8 1.0
C A:LEU246 3.9 19.5 0.5
C A:LEU246 4.0 19.7 0.5
N B:LYS457 4.1 10.6 1.0
O A:HOH2391 4.1 19.9 1.0
CG2 B:VAL461 4.2 21.7 1.0
CA B:LYS457 4.2 10.9 1.0
CD2 A:LEU246 4.5 18.1 0.5
CB A:LEU246 4.5 18.8 0.5
N A:GLU248 4.5 19.4 1.0
CG A:GLU248 4.5 22.0 1.0
CB A:LEU246 4.6 19.3 0.5
CA A:LYS247 4.6 19.1 1.0
OE2 A:GLU248 4.6 27.2 1.0
C A:LYS247 4.6 19.4 1.0
C B:TYR456 4.7 10.5 1.0
N B:VAL461 4.7 17.1 1.0
N A:LYS247 4.7 19.2 1.0
CA B:VAL461 4.8 19.0 1.0
N B:GLY460 4.8 13.9 1.0
O A:SER245 4.8 17.2 1.0
CD A:GLU248 4.8 23.0 1.0
CA B:GLY460 4.9 16.2 1.0
CA A:LEU246 4.9 19.0 0.5
O B:GLY455 4.9 12.7 1.0
CG A:LEU246 4.9 20.0 0.5
N B:GLN458 4.9 9.7 1.0
CA A:LEU246 4.9 19.3 0.5
OE1 A:GLU223 5.0 25.4 1.0

Potassium binding site 5 out of 16 in 2wme

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Potassium binding site 5 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1493

b:22.4
occ:1.00
 O C:VAL180 2.6 17.0 1.0
OG1 C:THR26 2.6 19.3 1.0
O C:ASP93 2.7 20.2 1.0
OD1 C:ASP93 2.8 22.4 1.0
O C:ILE27 2.8 18.1 1.0
O C:HOH2032 3.1 27.2 1.0
C C:ASP93 3.7 19.2 1.0
N C:ILE27 3.7 17.7 1.0
CG C:ASP93 3.8 19.8 1.0
C C:ILE27 3.8 18.8 1.0
C C:VAL180 3.9 18.6 1.0
CA C:ASP93 4.0 19.4 1.0
CB C:THR26 4.0 18.3 1.0
O C:HOH2247 4.2 23.6 1.0
C C:THR26 4.4 17.4 1.0
CA C:ILE27 4.4 18.6 1.0
CA C:THR26 4.4 17.5 1.0
CB C:ASP93 4.5 19.4 1.0
CG1 C:VAL180 4.5 16.4 1.0
CG2 C:THR181 4.6 19.7 1.0
CD1 C:LEU35 4.6 11.8 1.0
CA C:THR181 4.7 18.9 1.0
OD2 C:ASP93 4.7 22.6 1.0
N C:THR181 4.7 19.2 1.0
CD C:PRO29 4.8 17.5 1.0
O C:VAL329 4.8 18.1 1.0
CA C:VAL180 4.8 18.4 1.0
N C:THR94 4.9 19.4 1.0
N C:ASN28 4.9 18.6 1.0

Potassium binding site 6 out of 16 in 2wme

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Potassium binding site 6 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1494

b:20.0
occ:1.00
 O C:LYS457 2.6 14.6 1.0
O D:LEU246 2.8 21.1 1.0
O D:HOH2182 2.8 17.9 1.0
O D:HOH2198 2.8 25.3 1.0
O C:GLY460 2.8 16.8 1.0
O D:HOH2196 3.2 25.6 1.0
C C:LYS457 3.7 14.0 1.0
C D:LEU246 3.9 20.7 1.0
C C:GLY460 4.0 16.8 1.0
O D:HOH2338 4.1 18.7 1.0
N C:LYS457 4.2 14.4 1.0
CG2 C:VAL461 4.2 22.8 1.0
CA C:LYS457 4.2 13.6 1.0
OE2 D:GLU248 4.4 27.9 1.0
CB D:LEU246 4.5 20.4 1.0
N D:GLU248 4.5 19.4 1.0
CA D:LYS247 4.5 19.5 1.0
C D:LYS247 4.6 19.9 1.0
N D:LYS247 4.6 19.6 1.0
CG D:GLU248 4.7 21.5 1.0
O D:SER245 4.7 18.8 1.0
C C:TYR456 4.8 13.0 1.0
CA C:VAL461 4.8 18.8 1.0
N C:VAL461 4.8 17.7 1.0
N C:GLN458 4.8 14.2 1.0
CA D:LEU246 4.9 20.3 1.0
N C:GLY460 4.9 15.6 1.0
CD D:GLU248 4.9 24.6 1.0
OE1 D:GLU223 4.9 26.9 1.0
O C:GLY455 5.0 11.3 1.0

Potassium binding site 7 out of 16 in 2wme

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Potassium binding site 7 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1493

b:23.6
occ:1.00
 O D:VAL180 2.6 20.0 1.0
O D:ASP93 2.7 17.1 1.0
O D:ILE27 2.7 20.8 1.0
OG1 D:THR26 2.8 20.2 1.0
OD1 D:ASP93 3.0 19.8 1.0
O D:HOH2023 3.2 20.2 1.0
C D:ASP93 3.7 17.8 1.0
C D:ILE27 3.8 20.8 1.0
N D:ILE27 3.8 19.4 1.0
C D:VAL180 3.8 19.8 1.0
O D:HOH2247 3.8 29.5 1.0
CG D:ASP93 3.9 19.4 1.0
CA D:ASP93 4.0 17.8 1.0
CB D:THR26 4.1 20.0 1.0
CA D:ILE27 4.4 20.7 1.0
C D:THR26 4.4 19.8 1.0
CG1 D:VAL180 4.5 19.0 1.0
CB D:ASP93 4.5 17.9 1.0
CA D:THR26 4.6 19.5 1.0
CG2 D:THR181 4.6 15.6 1.0
CA D:THR181 4.6 19.0 1.0
CD D:PRO29 4.6 19.0 1.0
N D:THR181 4.7 18.7 1.0
CA D:VAL180 4.7 20.3 1.0
N D:ASN28 4.8 20.1 1.0
OD2 D:ASP93 4.8 19.1 1.0
CD1 D:LEU35 4.9 18.2 1.0
N D:THR94 4.9 17.0 1.0
O D:VAL329 4.9 19.1 1.0

Potassium binding site 8 out of 16 in 2wme

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Potassium binding site 8 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1494

b:19.0
occ:1.00
 O D:LYS457 2.6 15.8 1.0
O C:LEU246 2.7 19.2 1.0
O D:GLY460 2.8 18.4 1.0
O C:HOH2185 2.8 21.0 1.0
O C:HOH2198 3.1 28.6 1.0
OE2 C:GLU248 3.3 29.5 1.0
C D:LYS457 3.7 15.3 1.0
C C:LEU246 3.9 19.2 1.0
O C:HOH2196 3.9 14.7 1.0
C D:GLY460 3.9 18.3 1.0
CG2 D:VAL461 4.0 18.1 1.0
O C:HOH2346 4.1 21.3 1.0
N D:LYS457 4.2 14.2 1.0
CD C:GLU248 4.2 24.0 1.0
CD1 C:LEU246 4.2 20.3 1.0
CA D:LYS457 4.2 15.2 1.0
N C:GLU248 4.4 18.0 1.0
CB C:LEU246 4.5 19.0 1.0
CG C:GLU248 4.5 20.1 1.0
C C:LYS247 4.5 18.8 1.0
CA C:LYS247 4.6 19.1 1.0
N C:LYS247 4.7 18.8 1.0
N D:VAL461 4.7 19.8 1.0
C D:TYR456 4.8 13.9 1.0
N D:GLN458 4.8 15.3 1.0
CA D:VAL461 4.8 19.4 1.0
N D:GLY460 4.8 15.5 1.0
CA C:LEU246 4.9 19.4 1.0
O C:SER245 4.9 18.9 1.0
CA D:GLY460 4.9 18.2 1.0

Potassium binding site 9 out of 16 in 2wme

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Potassium binding site 9 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K1493

b:19.7
occ:1.00
 O E:VAL180 2.5 18.9 1.0
OG1 E:THR26 2.8 19.6 1.0
O E:ASP93 2.8 20.4 1.0
OD1 E:ASP93 2.8 19.6 1.0
O E:ILE27 2.8 15.2 1.0
O E:HOH2034 2.9 19.6 1.0
N E:ILE27 3.7 19.5 1.0
C E:VAL180 3.8 20.2 1.0
C E:ASP93 3.8 20.0 1.0
O E:HOH2251 3.8 33.6 1.0
CG E:ASP93 3.9 21.1 1.0
C E:ILE27 3.9 18.6 1.0
CA E:ASP93 4.1 19.4 1.0
CB E:THR26 4.1 19.5 1.0
CA E:ILE27 4.4 19.2 1.0
C E:THR26 4.4 19.6 1.0
CG1 E:VAL180 4.4 19.4 1.0
CA E:THR26 4.5 19.4 1.0
CB E:ASP93 4.6 18.9 1.0
CG2 E:THR181 4.6 17.3 1.0
N E:THR181 4.7 18.8 1.0
CA E:THR181 4.7 19.8 1.0
CA E:VAL180 4.7 19.9 1.0
OD2 E:ASP93 4.7 18.6 1.0
CD E:PRO29 4.8 17.6 1.0
CD1 E:LEU35 4.8 9.4 1.0
O E:HOH2161 4.8 16.6 1.0
N E:ASN28 5.0 17.4 1.0

Potassium binding site 10 out of 16 in 2wme

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Potassium binding site 10 out of 16 in the Crystallographic Structure 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 Crystallographic Structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa within 5.0Å range:
probe atom residue distance (Å) B Occ
E:K1494

b:21.7
occ:1.00
 O E:LYS457 2.7 15.4 1.0
O E:HOH2325 2.7 28.1 1.0
O F:HOH2185 2.8 18.9 1.0
O E:GLY460 2.8 18.1 1.0
O F:LEU246 2.9 17.4 1.0
O F:HOH2198 3.6 23.4 1.0
C E:LYS457 3.8 14.5 1.0
C E:GLY460 3.9 17.4 1.0
CG2 E:VAL461 4.1 22.8 1.0
C F:LEU246 4.1 18.9 1.0
N E:LYS457 4.1 14.1 1.0
O F:HOH2330 4.2 19.5 1.0
CA E:LYS457 4.3 14.6 1.0
OE2 F:GLU248 4.4 25.6 1.0
CB F:LEU246 4.6 20.0 1.0
CA E:VAL461 4.7 20.1 1.0
N F:GLU248 4.7 19.2 1.0
N E:VAL461 4.7 19.2 1.0
C E:TYR456 4.7 12.7 1.0
CA F:LYS247 4.7 17.6 1.0
CG F:GLU248 4.8 24.2 1.0
O F:SER245 4.8 17.9 1.0
C F:LYS247 4.9 18.9 1.0
N F:LYS247 4.9 18.0 1.0
N E:GLN458 4.9 13.8 1.0
N E:GLY460 4.9 15.5 1.0
O E:GLY455 4.9 13.5 1.0
CA E:GLY460 5.0 17.3 1.0

Reference:

L.Gonzalez-Segura, E.Rudino-Pinera, R.A.Munoz-Clares, E.Horjales. The Crystal Structure of A Ternary Complex of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa Provides New Insight Into the Reaction Mechanism and Shows A Novel Binding Mode of the 2'- Phosphate of Nadp(+) and A Novel Cation Binding Site. J.Mol.Biol. V. 385 542 2009.
ISSN: ISSN 0022-2836
PubMed: 19013472
DOI: 10.1016/J.JMB.2008.10.082
Page generated: Mon Aug 12 07:32:51 2024

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