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Magnesium in PDB 5dx6: Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate

Enzymatic activity of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate

All present enzymatic activity of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate:
2.2.1.6;

Protein crystallography data

The structure of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate, PDB code: 5dx6 was solved by A.J.Latta, M.J.Mcleish, F.H.Andrews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.57 / 1.75
Space group I 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 84.800, 134.010, 110.772, 90.00, 95.50, 90.00
R / Rfree (%) 15.1 / 19

Other elements in 5dx6:

The structure of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate (pdb code 5dx6). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate, PDB code: 5dx6:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 5dx6

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Magnesium binding site 1 out of 4 in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg602

b:41.3
occ:1.00
 OD2 A:ASP474 1.9 50.9 1.0
OD1 A:ASP447 2.0 47.4 1.0
O20 A:5GY604 2.1 40.2 1.0
O22 A:5GY604 2.1 39.0 1.0
O A:GLY476 2.2 42.9 1.0
O A:HOH710 2.3 33.0 1.0
CG A:ASP474 3.0 52.8 1.0
CG A:ASP447 3.1 47.5 1.0
P18 A:5GY604 3.2 39.8 1.0
P16 A:5GY604 3.3 38.1 1.0
C A:GLY476 3.4 45.7 1.0
OD1 A:ASP474 3.4 53.5 1.0
O17 A:5GY604 3.5 37.6 1.0
OD2 A:ASP447 3.6 49.4 1.0
O19 A:5GY604 3.7 39.9 1.0
N A:ASP447 3.8 41.5 1.0
N A:GLY476 3.9 46.4 1.0
O15 A:5GY604 3.9 39.9 0.8
N A:GLY448 4.2 40.8 1.0
CB A:ASP474 4.2 51.9 1.0
CA A:GLY476 4.2 46.2 1.0
N A:ASN478 4.3 41.2 1.0
N A:TYR477 4.3 45.3 1.0
CB A:ASP447 4.3 46.1 1.0
N A:ASP474 4.4 52.3 1.0
O A:TRP472 4.4 47.4 1.0
CA A:TYR477 4.5 43.5 1.0
CA A:ASP447 4.5 43.1 1.0
O23 A:5GY604 4.5 35.9 1.0
O21 A:5GY604 4.5 38.3 1.0
CA A:GLY446 4.6 39.7 1.0
C A:GLY446 4.6 41.8 1.0
N A:ASN475 4.7 50.6 1.0
CZ A:PHE496 4.7 45.3 1.0
CA A:ASP474 4.7 52.1 1.0
C A:ASP447 4.8 41.4 1.0
C A:ASP474 4.9 52.6 1.0
C A:TYR477 4.9 41.6 1.0
C14 A:5GY604 4.9 41.6 1.0
CB A:ASN478 5.0 45.4 1.0

Magnesium binding site 2 out of 4 in 5dx6

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Magnesium binding site 2 out of 4 in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg603

b:41.3
occ:1.00
 O A:SER129 2.4 27.0 1.0
O A:THR132 2.4 25.2 1.0
O A:HOH912 2.4 30.6 1.0
O A:HOH929 2.6 38.6 1.0
C A:SER129 3.5 26.6 1.0
C A:THR132 3.5 24.4 1.0
CA A:SER129 4.1 26.4 1.0
OG1 A:THR132 4.2 25.5 1.0
N A:THR132 4.3 23.2 1.0
C A:LYS133 4.3 24.5 1.0
O A:LYS133 4.4 25.0 1.0
N A:LYS133 4.4 24.3 1.0
CA A:LYS133 4.4 24.9 1.0
CA A:THR132 4.5 23.8 1.0
N A:PRO130 4.6 26.7 1.0
O A:HOH926 4.6 34.5 1.0
CB A:SER129 4.6 29.2 1.0
O A:HOH947 4.7 41.5 1.0
N A:TYR134 4.7 25.7 1.0
CA A:PRO130 4.8 26.7 1.0
C A:PRO130 4.9 27.4 1.0
N A:VAL131 5.0 26.4 1.0
CB A:THR132 5.0 25.2 1.0

Magnesium binding site 3 out of 4 in 5dx6

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Magnesium binding site 3 out of 4 in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:19.7
occ:1.00
 OD1 B:ASP474 2.0 21.4 1.0
O B:GLY476 2.1 20.5 1.0
O1B B:TPP603 2.1 19.1 1.0
O1A B:TPP603 2.2 19.8 1.0
OD1 B:ASP447 2.2 20.7 1.0
O B:HOH762 2.2 20.9 1.0
CG B:ASP474 3.1 22.6 1.0
PB B:TPP603 3.2 19.9 1.0
C B:GLY476 3.3 19.7 1.0
PA B:TPP603 3.3 18.6 1.0
CG B:ASP447 3.4 19.7 1.0
OD2 B:ASP474 3.5 25.9 1.0
O3A B:TPP603 3.6 18.0 1.0
O2B B:TPP603 3.7 21.9 1.0
N B:GLY476 3.9 19.6 1.0
OD2 B:ASP447 3.9 20.7 1.0
N B:ASP447 4.0 19.2 1.0
O7 B:TPP603 4.0 19.5 1.0
N B:ASN478 4.1 19.8 1.0
CA B:GLY476 4.2 20.4 1.0
N B:TYR477 4.2 18.2 1.0
N B:GLY448 4.3 19.4 1.0
CB B:ASP474 4.3 20.9 1.0
CA B:TYR477 4.3 16.9 1.0
N B:ASP474 4.5 20.6 1.0
O3B B:TPP603 4.5 20.5 1.0
O2A B:TPP603 4.5 17.2 1.0
O B:TRP472 4.6 21.5 1.0
CB B:ASP447 4.6 18.2 1.0
CZ B:PHE496 4.6 21.9 1.0
N B:ASN475 4.7 23.5 1.0
CA B:ASP447 4.7 18.4 1.0
CA B:GLY446 4.8 19.0 1.0
C B:TYR477 4.8 18.6 1.0
CA B:ASP474 4.8 20.9 1.0
C B:GLY446 4.8 19.2 1.0
CB B:ASN478 4.9 16.6 1.0
C B:ASP474 4.9 22.3 1.0
C B:ASP447 5.0 20.1 1.0

Magnesium binding site 4 out of 4 in 5dx6

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Magnesium binding site 4 out of 4 in the Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Acetolactate Synthase From Klebsiella Pneumoniae Soaked with Beta- Fluoropyruvate within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:31.4
occ:1.00
 O B:SER129 2.3 22.6 1.0
O B:HOH1060 2.4 42.4 1.0
O B:HOH957 2.4 23.6 1.0
O B:THR132 2.4 20.6 1.0
O B:HOH1046 2.6 34.9 1.0
O B:HOH956 2.7 40.2 1.0
C B:SER129 3.4 22.4 1.0
C B:THR132 3.6 20.9 1.0
CA B:SER129 4.0 22.7 1.0
OG1 B:THR132 4.2 20.1 1.0
N B:THR132 4.3 22.2 1.0
C B:LYS133 4.4 22.1 1.0
CA B:THR132 4.5 20.3 1.0
N B:LYS133 4.5 20.6 1.0
N B:PRO130 4.5 22.6 1.0
CA B:LYS133 4.5 22.4 1.0
O B:LYS133 4.5 22.5 1.0
CB B:SER129 4.6 25.4 1.0
CA B:PRO130 4.7 23.4 1.0
C B:PRO130 4.8 24.1 1.0
N B:TYR134 4.9 20.5 1.0
N B:VAL131 4.9 23.1 1.0
CB B:THR132 5.0 20.5 1.0
O B:PHE128 5.0 18.2 1.0

Reference:

A.J.Latta, M.J.Mcleish, F.H.Andrews. Characterization of Acetolactate Synthase From Klebsiella Pneumoniae To Be Published.
Page generated: Sun Sep 29 03:25:56 2024

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