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Magnesium in PDB 4owm: Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium

Enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium

All present enzymatic activity of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium:
2.4.2.18;

Protein crystallography data

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owm 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) 73.21 / 1.99
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.274, 91.990, 120.892, 90.00, 90.00, 90.00
R / Rfree (%) 17 / 21.3

Other elements in 4owm:

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium also contains other interesting chemical elements:

Fluorine (F) 2 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Fluoroanthranilate, Prpp and Magnesium (pdb code 4owm). 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 3-Fluoroanthranilate, Prpp and Magnesium, PDB code: 4owm:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4owm

Go back to Magnesium Binding Sites List in 4owm
Magnesium binding site 1 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-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 3-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:20.2
occ:1.00
 O2A A:PRP403 2.0 25.8 1.0
O A:HOH672 2.0 19.4 1.0
O2B A:PRP403 2.0 23.1 1.0
O A:HOH715 2.1 21.2 1.0
OG A:SER119 2.1 17.2 1.0
OE2 A:GLU252 2.2 22.4 1.0
CB A:SER119 3.0 17.8 1.0
CD A:GLU252 3.1 22.0 1.0
PA A:PRP403 3.1 25.5 1.0
PB A:PRP403 3.3 25.5 1.0
OE1 A:GLU252 3.3 22.0 1.0
MG A:MG402 3.3 34.8 1.0
O3A A:PRP403 3.5 28.0 1.0
O A:HOH732 3.9 31.1 1.0
N A:GLY107 3.9 19.3 1.0
OD2 A:ASP251 4.0 22.8 1.0
N A:SER119 4.0 17.3 1.0
CA A:SER119 4.1 17.7 1.0
O1 A:PRP403 4.2 29.9 1.0
O A:ASP251 4.2 18.9 1.0
O3B A:PRP403 4.3 26.2 1.0
O A:HOH564 4.3 21.9 1.0
O4 A:PRP403 4.3 40.7 1.0
O1A A:PRP403 4.4 26.7 1.0
CA A:GLY107 4.4 18.7 1.0
O1B A:PRP403 4.4 23.5 1.0
CG A:GLU252 4.5 21.5 1.0
OD1 A:ASP251 4.5 24.7 1.0
CG A:ASP251 4.5 22.3 1.0
C1 A:PRP403 4.5 35.8 1.0
C A:VAL106 4.6 18.8 1.0
O A:HOH641 4.6 43.0 1.0
CA A:VAL106 4.8 19.0 1.0
O A:HOH731 4.8 45.0 1.0

Magnesium binding site 2 out of 4 in 4owm

Go back to Magnesium Binding Sites List in 4owm
Magnesium binding site 2 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-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 3-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:34.8
occ:1.00
 O A:HOH730 1.9 35.9 1.0
OE2 A:GLU252 2.2 22.4 1.0
O A:HOH731 2.2 45.0 1.0
OD1 A:ASP251 2.2 24.7 1.0
O A:HOH672 2.4 19.4 1.0
O A:HOH732 2.5 31.1 1.0
CD A:GLU252 3.1 22.0 1.0
CG A:ASP251 3.1 22.3 1.0
O A:HOH641 3.3 43.0 1.0
OD2 A:ASP251 3.3 22.8 1.0
MG A:MG401 3.3 20.2 1.0
CG A:GLU252 3.4 21.5 1.0
OD2 A:ASP111 3.6 39.5 1.0
O2B A:PRP403 3.7 23.1 1.0
O A:ASP251 4.2 18.9 1.0
O A:HOH715 4.2 21.2 1.0
OE1 A:GLU252 4.3 22.0 1.0
OG1 A:THR115 4.3 33.7 1.0
CB A:ASP251 4.5 20.7 1.0
C A:ASP251 4.5 20.1 1.0
CG A:ASP111 4.5 39.6 1.0
N A:ASP251 4.7 21.0 1.0
O4 A:PRP403 4.7 40.7 1.0
PB A:PRP403 4.8 25.5 1.0
O3B A:PRP403 4.8 26.2 1.0
CA A:ASP251 4.8 21.3 1.0
CB A:GLU252 4.9 21.1 1.0
O2A A:PRP403 4.9 25.8 1.0

Magnesium binding site 3 out of 4 in 4owm

Go back to Magnesium Binding Sites List in 4owm
Magnesium binding site 3 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-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 3-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:26.8
occ:1.00
 O3B B:PRP403 2.0 26.8 1.0
O B:HOH595 2.1 21.7 1.0
O1A B:PRP403 2.1 31.2 1.0
O B:HOH602 2.1 21.9 1.0
OG B:SER119 2.2 21.0 1.0
OE2 B:GLU252 2.2 24.9 1.0
CB B:SER119 3.0 19.9 1.0
CD B:GLU252 3.1 27.5 1.0
PA B:PRP403 3.3 32.1 1.0
PB B:PRP403 3.3 29.4 1.0
OE1 B:GLU252 3.3 29.8 1.0
MG B:MG402 3.5 38.1 1.0
O3A B:PRP403 3.6 33.5 1.0
O B:HOH698 3.7 31.0 1.0
N B:GLY107 3.9 22.1 1.0
N B:SER119 4.0 18.0 1.0
CA B:SER119 4.0 18.3 1.0
OD2 B:ASP251 4.1 26.8 1.0
O4 B:PRP403 4.2 42.1 1.0
O B:ASP251 4.3 23.8 1.0
O1 B:PRP403 4.3 35.9 1.0
O2B B:PRP403 4.3 27.2 1.0
O1B B:PRP403 4.3 29.7 1.0
CA B:GLY107 4.4 23.0 1.0
O2A B:PRP403 4.4 35.1 1.0
CG B:GLU252 4.4 26.9 1.0
OD1 B:ASP251 4.5 27.5 1.0
CG B:ASP251 4.5 26.0 1.0
C B:VAL106 4.6 20.8 1.0
C1 B:PRP403 4.6 40.2 1.0
O B:HOH700 4.8 43.1 1.0
CA B:VAL106 4.8 20.6 1.0

Magnesium binding site 4 out of 4 in 4owm

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Magnesium binding site 4 out of 4 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-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 3-Fluoroanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:38.1
occ:1.00
 O B:HOH700 2.0 43.1 1.0
O B:HOH699 2.1 46.1 1.0
OE2 B:GLU252 2.2 24.9 1.0
OD1 B:ASP251 2.4 27.5 1.0
O B:HOH595 2.5 21.7 1.0
O B:HOH698 2.6 31.0 1.0
CD B:GLU252 3.2 27.5 1.0
CG B:GLU252 3.3 26.9 1.0
CG B:ASP251 3.4 26.0 1.0
MG B:MG401 3.5 26.8 1.0
OD2 B:ASP111 3.5 44.2 1.0
OD2 B:ASP251 3.7 26.8 1.0
O3B B:PRP403 3.8 26.8 1.0
OG1 B:THR115 4.1 31.9 1.0
O B:ASP251 4.3 23.8 1.0
O B:HOH602 4.3 21.9 1.0
OE1 B:GLU252 4.4 29.8 1.0
CG B:ASP111 4.5 44.5 1.0
C B:ASP251 4.6 25.9 1.0
CB B:ASP251 4.7 25.6 1.0
N B:ASP251 4.8 27.3 1.0
CB B:GLU252 4.8 25.8 1.0
O4 B:PRP403 4.8 42.1 1.0
PB B:PRP403 4.9 29.4 1.0
OD1 B:ASP111 4.9 45.6 1.0
O1B B:PRP403 4.9 29.7 1.0
CA B:ASP251 5.0 26.2 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 01:00:09 2024

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