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Magnesium in PDB 4owo: Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium

Enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium

All present enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium:
2.4.2.18;

Protein crystallography data

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owo was solved by A.Castell, T.V.M.Cookson, F.L.Short, J.S.Lott, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 73.35 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.409, 92.099, 121.294, 90.00, 90.00, 90.00
R / Rfree (%) 16.1 / 19.4

Other elements in 4owo:

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium also contains other interesting chemical elements:

Fluorine (F) 4 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium (pdb code 4owo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owo:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4owo

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Magnesium binding site 1 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:29.2
occ:1.00
 O A:HOH738 2.0 27.9 1.0
OE2 A:GLU252 2.2 19.3 1.0
OD1 A:ASP251 2.2 23.1 1.0
O A:HOH739 2.3 39.1 1.0
O A:HOH740 2.3 29.1 1.0
O A:HOH678 2.4 23.0 1.0
CD A:GLU252 3.2 19.9 1.0
CG A:ASP251 3.2 22.0 1.0
MG A:MG402 3.4 18.5 1.0
CG A:GLU252 3.4 19.9 1.0
OD2 A:ASP251 3.4 21.8 1.0
O3B A:PRP403 3.7 20.9 1.0
OD2 A:ASP111 3.8 31.9 1.0
OG1 A:THR115 4.1 34.2 1.0
O A:HOH726 4.2 23.2 1.0
O A:ASP251 4.2 19.9 1.0
OE1 A:GLU252 4.3 19.8 1.0
C A:ASP251 4.5 20.9 1.0
CB A:ASP251 4.5 21.5 1.0
CG A:ASP111 4.6 33.4 1.0
O2B A:PRP403 4.7 24.1 1.0
O4 A:PRP403 4.7 36.2 1.0
N A:ASP251 4.7 22.9 1.0
PB A:PRP403 4.8 22.8 1.0
CA A:ASP251 4.8 21.9 1.0
CB A:GLU252 4.9 20.0 1.0
O2A A:PRP403 4.9 22.8 1.0
OD1 A:ASP111 4.9 34.5 1.0

Magnesium binding site 2 out of 4 in 4owo

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Magnesium binding site 2 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:18.5
occ:1.00
 O2A A:PRP403 1.9 22.8 1.0
O3B A:PRP403 2.0 20.9 1.0
O A:HOH726 2.1 23.2 1.0
OG A:SER119 2.1 16.0 1.0
O A:HOH678 2.1 23.0 1.0
OE2 A:GLU252 2.2 19.3 1.0
CB A:SER119 3.1 16.5 1.0
CD A:GLU252 3.1 19.9 1.0
PA A:PRP403 3.1 23.4 1.0
PB A:PRP403 3.3 22.8 1.0
OE1 A:GLU252 3.3 19.8 1.0
MG A:MG401 3.4 29.2 1.0
O3A A:PRP403 3.5 24.5 1.0
O A:HOH740 3.7 29.1 1.0
N A:GLY107 4.0 19.0 1.0
OD2 A:ASP251 4.0 21.8 1.0
N A:SER119 4.0 17.0 1.0
CA A:SER119 4.1 16.6 1.0
O1 A:PRP403 4.2 29.1 1.0
O2B A:PRP403 4.2 24.1 1.0
O A:ASP251 4.2 19.9 1.0
O1B A:PRP403 4.3 20.9 1.0
O1A A:PRP403 4.3 26.4 1.0
O A:HOH568 4.4 21.9 1.0
O4 A:PRP403 4.4 36.2 1.0
CA A:GLY107 4.4 18.5 1.0
OD1 A:ASP251 4.4 23.1 1.0
CG A:GLU252 4.5 19.9 1.0
CG A:ASP251 4.5 22.0 1.0
C1 A:PRP403 4.6 32.1 1.0
C A:VAL106 4.6 17.8 1.0
CA A:VAL106 4.8 17.5 1.0
O A:HOH739 4.9 39.1 1.0

Magnesium binding site 3 out of 4 in 4owo

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Magnesium binding site 3 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:20.4
occ:1.00
 O3B B:PRP403 2.0 20.4 1.0
O1A B:PRP403 2.0 23.6 1.0
OE2 B:GLU252 2.1 21.9 1.0
O B:HOH597 2.1 18.2 1.0
OG B:SER119 2.2 18.9 1.0
O B:HOH603 2.2 16.8 1.0
CD B:GLU252 3.0 22.4 1.0
CB B:SER119 3.1 17.5 1.0
PA B:PRP403 3.2 24.6 1.0
PB B:PRP403 3.3 22.9 1.0
OE1 B:GLU252 3.3 23.0 1.0
MG B:MG402 3.4 35.2 1.0
O3A B:PRP403 3.5 24.5 1.0
O B:HOH652 3.7 26.4 1.0
OD2 B:ASP251 3.9 20.2 1.0
N B:GLY107 3.9 19.1 1.0
N B:SER119 4.0 17.5 1.0
CA B:SER119 4.1 17.1 1.0
O4 B:PRP403 4.2 30.2 1.0
O1B B:PRP403 4.2 23.2 1.0
O B:ASP251 4.2 21.1 1.0
O1 B:PRP403 4.3 28.9 1.0
O2B B:PRP403 4.3 21.1 1.0
O B:HOH554 4.4 23.2 1.0
OD1 B:ASP251 4.4 22.1 1.0
O2A B:PRP403 4.4 29.0 1.0
CG B:ASP251 4.4 21.6 1.0
CG B:GLU252 4.4 22.4 1.0
CA B:GLY107 4.4 19.4 1.0
C1 B:PRP403 4.5 29.1 1.0
O B:HOH738 4.5 50.3 1.0
C B:VAL106 4.6 18.6 1.0
CA B:VAL106 4.9 18.6 1.0

Magnesium binding site 4 out of 4 in 4owo

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Magnesium binding site 4 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 6-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:35.2
occ:1.00
 O B:HOH738 1.9 50.3 1.0
O B:HOH728 2.1 36.6 1.0
OE2 B:GLU252 2.2 21.9 1.0
OD1 B:ASP251 2.3 22.1 1.0
O B:HOH652 2.4 26.4 1.0
O B:HOH597 2.5 18.2 1.0
CD B:GLU252 3.2 22.4 1.0
CG B:ASP251 3.2 21.6 1.0
CG B:GLU252 3.3 22.4 1.0
MG B:MG401 3.4 20.4 1.0
OD2 B:ASP251 3.5 20.2 1.0
O3B B:PRP403 3.7 20.4 1.0
OD2 B:ASP111 3.7 34.8 1.0
O B:HOH638 3.8 36.2 1.0
O B:HOH648 4.0 46.7 1.0
OG1 B:THR115 4.1 27.5 1.0
O B:ASP251 4.3 21.1 1.0
OE1 B:GLU252 4.3 23.0 1.0
O B:HOH603 4.3 16.8 1.0
C B:ASP251 4.5 21.6 1.0
CB B:ASP251 4.6 21.7 1.0
CG B:ASP111 4.6 33.7 1.0
O4 B:PRP403 4.7 30.2 1.0
N B:ASP251 4.8 23.1 1.0
O1B B:PRP403 4.8 23.2 1.0
PB B:PRP403 4.8 22.9 1.0
CB B:GLU252 4.8 21.6 1.0
CA B:ASP251 4.9 22.4 1.0
O1A B:PRP403 4.9 23.6 1.0

Reference:

T.V.Cookson, A.Castell, E.M.Bulloch, G.L.Evans, F.L.Short, E.N.Baker, J.S.Lott, E.J.Parker. Alternative Substrates Reveal Catalytic Cycle and Key Binding Events in the Reaction Catalysed By Anthranilate Phosphoribosyltransferase From Mycobacterium Tuberculosis. Biochem.J. V. 461 87 2014.
ISSN: ESSN 1470-8728
PubMed: 24712732
DOI: 10.1042/BJ20140209
Page generated: Tue Aug 20 01:00:46 2024

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