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Potassium in PDB 2wox: Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.

Enzymatic activity of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.

All present enzymatic activity of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.:
1.2.1.8;

Protein crystallography data

The structure of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct., PDB code: 2wox was solved by L.Gonzalez-Segura, E.Rudino-Pinera, 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) 63.41 / 2.30
Space group P 32 2 1
Cell size a, b, c (Å), α, β, γ (°) 151.749, 151.749, 242.053, 90.00, 90.00, 120.00
R / Rfree (%) 15.9 / 19.8

Potassium Binding Sites:

The binding sites of Potassium atom in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. (pdb code 2wox). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 8 binding sites of Potassium where determined in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct., PDB code: 2wox:
Jump to Potassium binding site number: 1; 2; 3; 4; 5; 6; 7; 8;

Potassium binding site 1 out of 8 in 2wox

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Potassium binding site 1 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 1 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1492

b:67.4
occ:1.00
 O A:ASP93 2.7 54.0 1.0
OD1 A:ASP93 2.9 56.1 1.0
O A:VAL180 3.0 57.1 1.0
OG1 A:THR26 3.0 66.4 1.0
O A:ILE27 3.4 73.2 1.0
C A:ASP93 3.7 53.7 1.0
O A:HOH2011 3.7 57.4 1.0
N A:ILE27 3.8 60.9 1.0
CG A:ASP93 3.9 56.3 1.0
C A:ILE27 3.9 67.0 1.0
CA A:ASP93 4.0 52.1 1.0
C A:VAL180 4.2 54.3 1.0
CB A:THR26 4.3 59.6 1.0
CG2 A:THR181 4.4 49.2 1.0
CA A:ILE27 4.4 65.0 1.0
CG1 A:VAL180 4.5 59.1 1.0
C A:THR26 4.5 59.0 1.0
CD A:PRO29 4.5 66.8 1.0
CB A:ASP93 4.5 56.0 1.0
CA A:THR26 4.7 57.7 1.0
OD2 A:ASP93 4.7 54.2 1.0
N A:ASN28 4.7 62.3 1.0
O A:VAL329 4.7 58.6 1.0
CA A:THR181 4.8 52.8 1.0
N A:THR94 4.8 54.5 1.0
CD1 A:LEU35 4.8 51.7 1.0
O A:LEU92 4.9 55.9 1.0
N A:THR181 5.0 53.4 1.0

Potassium binding site 2 out of 8 in 2wox

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Potassium binding site 2 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 2 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1493

b:75.2
occ:1.00
 O A:LYS457 2.5 40.4 1.0
O B:LEU246 2.8 40.0 1.0
O B:HOH2185 3.0 39.9 1.0
O A:GLY460 3.4 41.0 1.0
C A:LYS457 3.5 36.1 1.0
CA A:LYS457 3.9 34.5 1.0
C B:LEU246 3.9 42.1 1.0
N A:LYS457 3.9 35.1 1.0
O B:HOH2248 4.1 50.1 1.0
CB B:LEU246 4.2 45.7 1.0
CG2 A:VAL461 4.4 47.0 1.0
O B:SER245 4.4 40.4 1.0
C A:GLY460 4.5 42.9 1.0
OE1 B:GLU223 4.6 57.5 1.0
N A:GLN458 4.6 30.5 1.0
C A:TYR456 4.7 33.6 1.0
CA B:LYS247 4.7 39.7 1.0
N B:LYS247 4.7 41.3 1.0
CA B:LEU246 4.8 43.0 1.0
OE2 B:GLU248 4.8 68.1 1.0
C B:LYS247 4.9 39.2 1.0
N B:GLU248 4.9 37.1 1.0
CA A:GLN458 5.0 35.4 1.0

Potassium binding site 3 out of 8 in 2wox

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Potassium binding site 3 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 3 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1493

b:53.8
occ:0.60
 O B:LYS457 2.3 39.0 1.0
O A:LEU246 2.7 36.1 1.0
O B:GLY460 2.7 38.9 1.0
C B:LYS457 3.4 35.2 1.0
O A:HOH2117 3.6 50.2 1.0
C A:LEU246 3.9 42.3 1.0
CA B:LYS457 3.9 32.3 1.0
C B:GLY460 3.9 41.2 1.0
N B:LYS457 4.0 36.0 1.0
CG2 B:VAL461 4.1 44.1 1.0
CB A:LEU246 4.2 47.5 1.0
O A:HOH2217 4.5 45.0 1.0
N B:GLN458 4.5 33.8 1.0
O A:SER245 4.5 45.0 1.0
OE2 A:GLU248 4.6 76.4 1.0
C B:TYR456 4.6 37.5 1.0
OE1 A:GLU223 4.7 71.2 1.0
CA A:LEU246 4.7 45.4 1.0
N B:GLY460 4.7 36.3 1.0
O B:HOH2239 4.8 49.1 1.0
N B:VAL461 4.8 41.9 1.0
CA B:VAL461 4.8 35.9 1.0
O B:GLY455 4.8 34.6 1.0
N A:LYS247 4.8 40.1 1.0
CA B:GLN458 4.8 38.2 1.0
CA A:LYS247 4.9 41.8 1.0
CA B:GLY460 4.9 39.1 1.0
N A:GLU248 5.0 44.8 1.0
O B:TYR456 5.0 35.9 1.0

Potassium binding site 4 out of 8 in 2wox

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Potassium binding site 4 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 4 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1501

b:60.8
occ:1.00
 O B:VAL180 2.8 49.3 1.0
O B:ASP93 2.9 47.2 1.0
OG1 B:THR26 3.0 60.9 1.0
O B:ILE27 3.0 44.6 1.0
OD1 B:ASP93 3.2 46.0 1.0
O B:HOH2046 3.2 26.4 1.0
O B:HOH2047 3.5 45.3 1.0
N B:ILE27 3.6 43.0 1.0
C B:ILE27 3.8 45.2 1.0
C B:ASP93 3.9 45.2 1.0
CG B:ASP93 3.9 47.1 1.0
C B:VAL180 4.0 43.1 1.0
CA B:ASP93 4.1 40.1 1.0
CB B:THR26 4.2 54.0 1.0
CA B:ILE27 4.3 45.1 1.0
C B:THR26 4.3 41.9 1.0
CG2 B:THR181 4.3 32.9 1.0
CG1 B:VAL180 4.4 35.7 1.0
CA B:THR26 4.4 44.9 1.0
CB B:ASP93 4.6 46.2 1.0
OD2 B:ASP93 4.6 46.8 1.0
CD1 B:LEU35 4.6 38.9 1.0
CD B:PRO29 4.7 34.7 1.0
CA B:THR181 4.7 33.0 1.0
O B:VAL329 4.7 43.4 1.0
N B:THR181 4.8 36.3 1.0
CA B:VAL180 4.8 36.1 1.0
N B:ASN28 4.9 44.5 1.0

Potassium binding site 5 out of 8 in 2wox

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Potassium binding site 5 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 5 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1492

b:41.4
occ:1.00
 O C:VAL180 2.8 32.4 1.0
O C:ASP93 2.9 27.4 1.0
O C:ILE27 2.9 29.2 1.0
OG1 C:THR26 2.9 37.0 1.0
OD1 C:ASP93 3.1 35.5 1.0
O C:HOH2042 3.3 30.4 1.0
N C:ILE27 3.6 31.2 1.0
C C:ILE27 3.8 26.4 1.0
C C:ASP93 3.8 29.5 1.0
CG C:ASP93 4.0 40.4 1.0
C C:VAL180 4.0 36.5 1.0
CA C:ASP93 4.1 29.8 1.0
CB C:THR26 4.1 30.4 1.0
CA C:ILE27 4.3 28.5 1.0
C C:THR26 4.3 34.4 1.0
CG2 C:THR181 4.3 29.2 1.0
CA C:THR26 4.4 30.9 1.0
CG1 C:VAL180 4.5 30.3 1.0
CB C:ASP93 4.6 34.0 1.0
CA C:THR181 4.7 30.6 1.0
OD2 C:ASP93 4.7 40.9 1.0
CD C:PRO29 4.8 32.6 1.0
CD1 C:LEU35 4.8 32.2 1.0
N C:ASN28 4.8 28.2 1.0
N C:THR181 4.8 36.0 1.0
CA C:VAL180 5.0 32.5 1.0
CB C:ILE27 5.0 33.1 1.0

Potassium binding site 6 out of 8 in 2wox

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Potassium binding site 6 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 6 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1493

b:53.8
occ:1.00
 O C:LYS457 2.9 30.6 1.0
O D:LEU246 2.9 37.9 1.0
O D:HOH2147 2.9 50.0 1.0
O C:GLY460 3.1 28.2 1.0
O D:HOH2152 3.5 46.6 1.0
C C:LYS457 3.8 27.5 1.0
C D:LEU246 3.9 40.0 1.0
N C:LYS457 4.0 27.6 1.0
CG2 C:VAL461 4.1 41.0 1.0
CA C:LYS457 4.1 26.2 1.0
O D:HOH2220 4.2 36.2 1.0
C C:GLY460 4.3 33.7 1.0
OE2 D:GLU248 4.4 57.2 1.0
CB D:LEU246 4.4 37.1 1.0
O D:SER245 4.5 40.5 1.0
CA D:LYS247 4.5 33.0 1.0
N D:GLU248 4.6 33.8 1.0
C D:LYS247 4.6 36.3 1.0
OE1 D:GLU223 4.7 48.4 1.0
CG D:GLU248 4.7 47.5 1.0
N D:LYS247 4.7 39.0 1.0
C C:TYR456 4.7 27.9 1.0
O C:HOH2334 4.8 56.0 1.0
CA D:LEU246 4.9 40.7 1.0
CA C:VAL461 4.9 31.9 1.0
N C:GLN458 4.9 28.6 1.0
O D:GLU223 5.0 36.4 1.0
CD D:GLU248 5.0 58.0 1.0

Potassium binding site 7 out of 8 in 2wox

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Potassium binding site 7 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 7 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1492

b:59.3
occ:1.00
 O D:ASP93 2.9 39.2 1.0
O D:VAL180 2.9 43.8 1.0
O D:ILE27 3.1 53.6 1.0
OG1 D:THR26 3.2 42.4 1.0
O D:HOH2033 3.3 46.0 1.0
OD1 D:ASP93 3.3 53.8 1.0
N D:ILE27 3.6 42.1 1.0
C D:ILE27 3.8 46.0 1.0
C D:ASP93 3.9 42.9 1.0
C D:VAL180 4.1 40.4 1.0
CG D:ASP93 4.1 52.2 1.0
CG2 D:THR181 4.2 52.0 1.0
CA D:ASP93 4.2 44.0 1.0
CA D:ILE27 4.3 44.5 1.0
CG1 D:VAL180 4.3 42.5 1.0
C D:THR26 4.4 44.9 1.0
CB D:THR26 4.4 42.2 1.0
CD D:PRO29 4.4 42.1 1.0
CA D:THR26 4.6 43.5 1.0
CB D:ASP93 4.7 49.5 1.0
O D:VAL329 4.8 61.2 1.0
CD1 D:LEU35 4.8 40.6 1.0
CA D:THR181 4.8 46.7 1.0
OD2 D:ASP93 4.8 60.6 1.0
N D:ASN28 4.8 45.0 1.0
CA D:VAL180 4.9 37.0 1.0
N D:THR181 4.9 42.8 1.0
CB D:ILE27 5.0 45.1 1.0
O D:HOH2029 5.0 42.1 1.0

Potassium binding site 8 out of 8 in 2wox

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Potassium binding site 8 out of 8 in the Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct.


Mono view


Stereo pair view

A full contact list of Potassium with other atoms in the K binding site number 8 of Betaine Aldehyde Dehydrogenase From Pseudomonas Aeruginosa with Nad(P) H-Catalytic Thiol Adduct. within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1493

b:56.5
occ:0.80
 O D:LYS457 2.4 42.0 1.0
O C:LEU246 2.8 40.7 1.0
O C:HOH2203 3.1 55.4 1.0
O D:GLY460 3.2 38.6 1.0
C D:LYS457 3.4 32.3 1.0
CA D:LYS457 3.9 35.0 1.0
N D:LYS457 3.9 33.5 1.0
C C:LEU246 3.9 40.9 1.0
O C:HOH2344 4.1 43.4 1.0
CG2 D:VAL461 4.3 40.5 1.0
OE1 C:GLU223 4.4 61.8 1.0
C D:GLY460 4.4 40.2 1.0
CB C:LEU246 4.4 37.5 1.0
O C:SER245 4.4 43.6 1.0
CA C:LYS247 4.5 31.8 1.0
N D:GLN458 4.6 29.1 1.0
C D:TYR456 4.6 31.6 1.0
N C:GLU248 4.7 37.6 1.0
N C:LYS247 4.7 38.7 1.0
OE2 C:GLU248 4.7 65.6 1.0
C C:LYS247 4.7 33.6 1.0
CA C:LEU246 4.8 38.3 1.0
O D:HOH2211 4.9 48.9 1.0
CG C:GLU248 5.0 52.0 1.0
O C:GLU223 5.0 30.2 1.0
CA D:GLN458 5.0 34.6 1.0

Reference:

A.G.Diaz-Sanchez, L.Gonzalez-Segura, E.Rudino-Pinera, A.Lira-Rocha, A.Torres-Larios, R.A.Munoz-Clares. Novel Nadph-Cysteine Covalent Adduct Found in the Active Site of An Aldehyde Dehydrogenase. Biochem. J. V. 439 443 2011.
ISSN: ESSN 1470-8728
PubMed: 21732915
DOI: 10.1042/BJ20110376
Page generated: Mon Aug 12 07:33:51 2024

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