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

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

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

Protein crystallography data

The structure of Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Methylanthranilate, Prpp and Magnesium, PDB code: 4owq 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) 73.52 / 1.89
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.351, 92.268, 121.681, 90.00, 90.00, 90.00
R / Rfree (%) 16.8 / 19.2

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 3 in 4owq

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Magnesium binding site 1 out of 3 in the Anthranilate Phosphoribosyl Transferase From Mycobacterium Tuberculosis in Complex with 3-Methylanthranilate, 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-Methylanthranilate, Prpp and Magnesium within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:35.2
occ:1.00
 OE2 A:GLU252 2.1 24.4 1.0
O A:HOH715 2.3 41.2 1.0
OD1 A:ASP251 2.4 23.6 1.0
O A:HOH568 2.5 20.4 1.0
O A:HOH631 2.5 31.9 1.0
CD A:GLU252 3.1 25.2 1.0
CG A:ASP251 3.2 22.9 1.0
MG A:MG402 3.3 20.7 1.0
OD2 A:ASP251 3.4 23.9 1.0
CG A:GLU252 3.4 24.3 1.0
O A:HOH736 3.6 47.4 1.0
O2B A:PRP403 3.7 25.2 1.0
OD2 A:ASP111 3.8 40.5 1.0
O A:HOH570 4.1 21.4 1.0
O A:HOH739 4.2 45.6 1.0
O A:ASP251 4.2 20.5 1.0
OE1 A:GLU252 4.3 25.2 1.0
OG1 A:THR115 4.3 39.0 1.0
C A:ASP251 4.6 20.9 1.0
CB A:ASP251 4.6 21.5 1.0
CG A:ASP111 4.7 41.2 1.0
O3B A:PRP403 4.8 27.9 1.0
PB A:PRP403 4.8 28.0 1.0
N A:ASP251 4.8 22.3 1.0
O2A A:PRP403 4.9 27.3 1.0
CA A:ASP251 4.9 21.2 1.0
CB A:GLU252 4.9 22.8 1.0
O4 A:PRP403 4.9 40.0 1.0
OG A:SER119 5.0 19.8 1.0

Magnesium binding site 2 out of 3 in 4owq

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

b:20.7
occ:1.00
 O2A A:PRP403 2.0 27.3 1.0
O A:HOH570 2.0 21.4 1.0
O2B A:PRP403 2.0 25.2 1.0
O A:HOH568 2.0 20.4 1.0
OG A:SER119 2.1 19.8 1.0
OE2 A:GLU252 2.2 24.4 1.0
CB A:SER119 3.0 19.7 1.0
CD A:GLU252 3.1 25.2 1.0
PA A:PRP403 3.2 29.5 1.0
OE1 A:GLU252 3.3 25.2 1.0
MG A:MG401 3.3 35.2 1.0
PB A:PRP403 3.3 28.0 1.0
O3A A:PRP403 3.5 30.0 1.0
N A:GLY107 3.8 21.0 1.0
O A:HOH631 3.9 31.9 1.0
OD2 A:ASP251 4.0 23.9 1.0
N A:SER119 4.0 18.7 1.0
CA A:SER119 4.1 19.2 1.0
O3B A:PRP403 4.3 27.9 1.0
O1 A:PRP403 4.3 33.4 1.0
O A:HOH586 4.3 27.2 1.0
CA A:GLY107 4.3 20.8 1.0
O A:ASP251 4.4 20.5 1.0
O4 A:PRP403 4.4 40.0 1.0
O1B A:PRP403 4.4 27.5 1.0
O1A A:PRP403 4.4 32.5 1.0
CG A:GLU252 4.5 24.3 1.0
C A:VAL106 4.5 20.8 1.0
CG A:ASP251 4.6 22.9 1.0
OD1 A:ASP251 4.6 23.6 1.0
C1 A:PRP403 4.7 37.5 1.0
CA A:VAL106 4.7 20.4 1.0
O A:HOH736 4.9 47.4 1.0

Magnesium binding site 3 out of 3 in 4owq

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

b:30.9
occ:1.00
 OE2 B:GLU252 2.0 36.6 1.0
O3B B:PRP402 2.1 16.9 0.5
O1A B:PRP402 2.1 21.8 0.5
O B:HOH613 2.2 30.7 1.0
O B:HOH614 2.2 27.9 1.0
OG B:SER119 2.2 26.7 1.0
CD B:GLU252 3.0 37.5 1.0
CB B:SER119 3.1 22.6 1.0
OE1 B:GLU252 3.3 40.3 1.0
PA B:PRP402 3.4 21.9 0.5
PB B:PRP402 3.4 17.9 0.5
O B:HOH623 3.4 34.7 1.0
O3A B:PRP402 3.7 20.3 0.5
N B:GLY107 3.9 27.1 1.0
O B:HOH669 3.9 39.3 1.0
OD2 B:ASP251 4.1 30.8 1.0
N B:SER119 4.1 20.9 1.0
CA B:SER119 4.1 21.0 1.0
O4 B:PRP402 4.1 30.1 0.5
O B:ASP251 4.3 25.6 1.0
O B:HOH677 4.3 34.4 1.0
O1 B:PRP402 4.3 25.3 0.5
CG B:GLU252 4.3 35.2 1.0
O1B B:PRP402 4.4 17.2 0.5
CA B:GLY107 4.4 27.1 1.0
O2B B:PRP402 4.4 16.1 0.5
C1 B:PRP402 4.4 28.5 0.5
OD1 B:ASP251 4.5 31.6 1.0
CG B:ASP251 4.5 30.8 1.0
O2A B:PRP402 4.5 23.0 0.5
C B:VAL106 4.6 26.0 1.0
O B:HOH698 4.8 41.8 1.0
CA B:VAL106 4.8 24.6 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 01:01:20 2024

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