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Potassium in PDB 4v37: Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde

Enzymatic activity of Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde

All present enzymatic activity of Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde:
1.2.1.8;

Protein crystallography data

The structure of Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde, PDB code: 4v37 was solved by A.Zarate-Romero, R.A.Munoz-Clares, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 24.484 / 2.10
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 68.296, 80.372, 85.833, 82.07, 86.40, 79.06
R / Rfree (%) 16.7 / 20.89

Potassium Binding Sites:

The binding sites of Potassium atom in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde (pdb code 4v37). This binding sites where shown within 5.0 Angstroms radius around Potassium atom.
In total 4 binding sites of Potassium where determined in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde, PDB code: 4v37:
Jump to Potassium binding site number: 1; 2; 3; 4;

Potassium binding site 1 out of 4 in 4v37

Go back to Potassium Binding Sites List in 4v37
Potassium binding site 1 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde


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 Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
A:K1502

b:17.6
occ:0.78
 O A:HOH2044 2.6 35.2 1.0
O A:HOH2043 2.7 18.5 1.0
OD1 A:ASP96 2.7 17.4 1.0
O A:LEU186 2.7 16.2 1.0
O A:ASP96 2.8 17.9 1.0
O A:ILE28 2.9 22.2 1.0
C A:ASP96 3.8 18.0 1.0
CG A:ASP96 3.8 16.8 1.0
C A:LEU186 3.9 15.5 1.0
C A:ILE28 4.0 23.0 1.0
CA A:ASP96 4.1 18.0 1.0
N A:ILE28 4.1 22.1 1.0
O A:HOH2115 4.2 15.3 1.0
CG1 A:VAL27 4.2 17.5 1.0
CD1 A:ILE334 4.4 17.5 1.0
CD A:PRO30 4.5 20.6 1.0
CA A:ALA187 4.5 16.2 1.0
CA A:ILE28 4.6 23.1 1.0
CB A:ASP96 4.6 17.3 1.0
N A:ALA187 4.7 16.1 1.0
O A:HOH2039 4.7 20.1 1.0
CG A:PRO30 4.7 20.1 1.0
OD2 A:ASP96 4.7 15.9 1.0
CB A:ALA187 4.8 16.4 1.0
CA A:LEU186 4.9 15.4 1.0
C A:VAL27 5.0 19.3 1.0

Potassium binding site 2 out of 4 in 4v37

Go back to Potassium Binding Sites List in 4v37
Potassium binding site 2 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde


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 Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
B:K1502

b:20.4
occ:0.83
 O B:ASP96 2.7 18.0 1.0
O B:HOH2138 2.7 21.4 1.0
OD1 B:ASP96 2.7 18.4 1.0
O B:HOH2030 2.8 18.4 1.0
O B:LEU186 2.8 19.2 1.0
O B:ILE28 2.8 23.6 1.0
C B:ASP96 3.6 18.1 1.0
CG B:ASP96 3.7 18.0 1.0
C B:LEU186 4.0 18.8 1.0
CA B:ASP96 4.0 18.4 1.0
C B:ILE28 4.0 24.6 1.0
N B:ILE28 4.2 24.2 1.0
CG1 B:VAL27 4.3 21.7 1.0
O B:HOH2079 4.3 12.8 1.0
CB B:ASP96 4.5 18.2 1.0
OD2 B:ASP96 4.5 17.1 1.0
CA B:ALA187 4.5 15.8 1.0
CD1 B:ILE334 4.6 16.5 1.0
CD B:PRO30 4.6 19.9 1.0
O B:HOH2027 4.6 19.7 1.0
CA B:ILE28 4.7 24.3 1.0
N B:ALA187 4.7 15.6 1.0
CG B:PRO30 4.8 19.1 1.0
N B:SER97 4.8 19.9 1.0
O B:ILE334 4.9 17.8 1.0
CB B:ALA187 4.9 15.7 1.0
CA B:LEU186 5.0 18.4 1.0

Potassium binding site 3 out of 4 in 4v37

Go back to Potassium Binding Sites List in 4v37
Potassium binding site 3 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde


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 Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
C:K1503

b:26.5
occ:0.88
 O C:HOH2027 2.5 20.8 1.0
O C:LEU186 2.6 20.4 1.0
O C:ASP96 2.7 22.5 1.0
OD1 C:ASP96 2.7 22.0 1.0
O C:ILE28 2.9 24.7 1.0
C C:ASP96 3.7 22.6 1.0
C C:LEU186 3.8 20.1 1.0
CG C:ASP96 3.8 21.6 1.0
C C:ILE28 4.1 25.8 1.0
CA C:ASP96 4.1 22.9 1.0
N C:ILE28 4.2 24.8 1.0
O C:HOH2086 4.3 19.5 1.0
CD1 C:ILE334 4.4 21.0 1.0
CG1 C:VAL27 4.4 22.8 1.0
CA C:ALA187 4.5 16.5 1.0
CD C:PRO30 4.6 22.1 1.0
CB C:ASP96 4.6 22.2 1.0
N C:ALA187 4.6 16.2 1.0
O C:HOH2024 4.6 22.7 1.0
OD2 C:ASP96 4.7 21.1 1.0
CG C:PRO30 4.7 21.9 1.0
CA C:ILE28 4.7 25.5 1.0
CB C:ALA187 4.8 16.4 1.0
CA C:LEU186 4.8 19.4 1.0
O C:HOH2010 4.8 43.6 1.0
N C:SER97 4.9 23.4 1.0

Potassium binding site 4 out of 4 in 4v37

Go back to Potassium Binding Sites List in 4v37
Potassium binding site 4 out of 4 in the Crystal Structure of Betaine Aldehyde Dehydrogenase From Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde


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 Spinach Showing A Thiohemiacetal with 3- Aminopropionaldehyde within 5.0Å range:
probe atom residue distance (Å) B Occ
D:K1500

b:20.9
occ:0.83
 O D:ASP96 2.5 17.4 1.0
OD1 D:ASP96 2.7 17.7 1.0
O D:HOH2133 2.9 25.1 1.0
O D:LEU186 2.9 15.6 1.0
O D:ILE28 2.9 19.2 1.0
O D:HOH2034 2.9 15.4 1.0
C D:ASP96 3.5 17.6 1.0
CG D:ASP96 3.7 17.6 1.0
CA D:ASP96 3.9 18.4 1.0
C D:LEU186 4.1 15.2 1.0
C D:ILE28 4.1 20.4 1.0
CG1 D:VAL27 4.2 17.6 1.0
O D:HOH2079 4.2 10.7 1.0
N D:ILE28 4.3 19.9 1.0
CD D:PRO30 4.4 20.8 1.0
CB D:ASP96 4.4 17.9 1.0
O D:HOH2031 4.6 17.2 1.0
CA D:ALA187 4.6 17.0 1.0
CD1 D:ILE334 4.6 16.8 1.0
OD2 D:ASP96 4.6 17.3 1.0
CG D:PRO30 4.7 20.0 1.0
N D:SER97 4.7 17.6 1.0
CA D:ILE28 4.8 20.4 1.0
N D:ALA187 4.8 16.5 1.0
O D:ILE334 4.9 18.2 1.0
CB D:ALA187 4.9 16.9 1.0

Reference:

A.Zarate-Romero, C.Mujica-Jimenez, D.S.Murillo-Melo, C.Montiel, R.A.Munoz-Clares. Identification of A Stable Thiohemiacetal Involving A Conserved Cysteine in the Substrate Inactivation of S. Oleracea Betaine Aldehyde Dehydrogenase To Be Published.
Page generated: Mon Aug 12 12:17:53 2024

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