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Magnesium in PDB 4zof: Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)

Enzymatic activity of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)

All present enzymatic activity of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd):
2.4.2.18;

Protein crystallography data

The structure of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd), PDB code: 4zof was solved by G.L.Evans, E.N.Baker, J.S.Lott, Tb Structural Genomics Consortium(Tbsgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.81 / 1.80
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.191, 78.763, 99.674, 90.00, 109.45, 90.00
R / Rfree (%) 18.5 / 21.9

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) (pdb code 4zof). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd), PDB code: 4zof:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4zof

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Magnesium binding site 1 out of 4 in the Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg400

b:12.4
occ:1.00
 O A:HOH550 2.1 16.4 1.0
OE1 A:GLU252 2.1 16.1 1.0
O1A A:PRP402 2.1 14.9 1.0
OG A:SER119 2.2 14.5 1.0
O A:HOH569 2.2 15.2 1.0
O3B A:PRP402 2.3 16.0 1.0
CD A:GLU252 3.0 15.8 1.0
OE2 A:GLU252 3.1 16.4 1.0
CB A:SER119 3.2 11.8 1.0
MG A:MG401 3.3 18.0 1.0
PA A:PRP402 3.4 17.6 1.0
PB A:PRP402 3.4 17.7 1.0
O3A A:PRP402 3.6 20.8 1.0
O A:HOH580 3.7 23.9 1.0
N A:GLY107 4.0 13.3 1.0
OD2 A:ASP251 4.0 14.5 1.0
N A:SER119 4.0 12.8 1.0
O A:ASP251 4.1 13.2 1.0
O A:HOH635 4.1 19.0 1.0
CA A:SER119 4.2 12.4 1.0
OD1 A:ASP251 4.2 18.0 1.0
CA A:GLY107 4.3 13.2 1.0
O2A A:PRP402 4.3 27.2 1.0
O1B A:PRP402 4.3 23.0 1.0
O4 A:PRP402 4.3 25.2 1.0
O2B A:PRP402 4.4 15.8 1.0
CG A:ASP251 4.4 19.0 1.0
CG A:GLU252 4.4 14.2 1.0
O1 A:PRP402 4.4 17.9 1.0
C A:VAL106 4.6 12.3 1.0
C1 A:PRP402 4.6 16.4 1.0
O A:HOH668 4.8 26.6 1.0
O A:HOH520 4.8 27.5 1.0
CA A:VAL106 5.0 13.4 1.0

Magnesium binding site 2 out of 4 in 4zof

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Magnesium binding site 2 out of 4 in the Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:18.0
occ:1.00
 O A:HOH568 2.0 22.5 1.0
OE1 A:GLU252 2.1 16.1 1.0
O A:HOH668 2.1 26.6 1.0
O A:HOH580 2.1 23.9 1.0
O A:HOH569 2.1 15.2 1.0
OD1 A:ASP251 2.2 18.0 1.0
CD A:GLU252 3.1 15.8 1.0
CG A:ASP251 3.2 19.0 1.0
MG A:MG400 3.3 12.4 1.0
CG A:GLU252 3.5 14.2 1.0
OD2 A:ASP251 3.5 14.5 1.0
O3B A:PRP402 3.8 16.0 1.0
OD2 A:ASP111 3.9 23.2 1.0
O A:HOH503 4.2 21.2 0.5
O A:HOH537 4.2 36.5 1.0
OE2 A:GLU252 4.2 16.4 1.0
OG1 A:THR115 4.2 22.7 1.0
O A:ASP251 4.3 13.2 1.0
O A:HOH550 4.3 16.4 1.0
O A:HOH667 4.3 38.5 1.0
CB A:ASP251 4.5 14.6 1.0
C A:ASP251 4.5 14.2 1.0
O4 A:PRP402 4.5 25.2 1.0
O1B A:PRP402 4.6 23.0 1.0
CG A:ASP111 4.7 28.0 1.0
N A:ASP251 4.7 15.1 1.0
PB A:PRP402 4.8 17.7 1.0
O1A A:PRP402 4.8 14.9 1.0
CA A:ASP251 4.8 17.9 1.0
CB A:GLU252 4.9 17.5 1.0

Magnesium binding site 3 out of 4 in 4zof

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Magnesium binding site 3 out of 4 in the Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg400

b:12.7
occ:1.00
 O B:HOH543 2.1 16.1 1.0
O2A B:PRP402 2.2 18.5 1.0
OE2 B:GLU252 2.2 16.9 1.0
O3B B:PRP402 2.2 16.8 1.0
O B:HOH527 2.2 20.9 1.0
OG B:SER119 2.2 19.6 1.0
CD B:GLU252 3.0 18.3 1.0
OE1 B:GLU252 3.1 17.4 1.0
CB B:SER119 3.2 15.9 1.0
PA B:PRP402 3.3 19.3 1.0
PB B:PRP402 3.4 17.8 1.0
MG B:MG401 3.4 22.9 1.0
O3A B:PRP402 3.6 23.0 1.0
O B:HOH546 3.7 26.8 1.0
N B:GLY107 3.9 16.4 1.0
OD2 B:ASP251 3.9 16.4 1.0
N B:SER119 4.0 16.8 1.0
O B:ASP251 4.1 17.3 1.0
O B:HOH631 4.2 19.0 1.0
CA B:SER119 4.2 16.5 1.0
O1A B:PRP402 4.2 30.2 1.0
O4 B:PRP402 4.3 24.4 1.0
CA B:GLY107 4.3 11.3 1.0
O2B B:PRP402 4.3 21.4 1.0
OD1 B:ASP251 4.3 17.6 1.0
O1B B:PRP402 4.4 18.2 1.0
CG B:GLU252 4.4 18.5 1.0
CG B:ASP251 4.4 17.4 1.0
O1 B:PRP402 4.4 22.5 1.0
C B:VAL106 4.5 15.8 1.0
C1 B:PRP402 4.6 20.0 1.0
O B:HOH650 4.9 28.0 1.0
CA B:VAL106 4.9 15.8 1.0
O B:HOH519 4.9 27.3 1.0

Magnesium binding site 4 out of 4 in 4zof

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Magnesium binding site 4 out of 4 in the Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Lobenzarit-Like Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:22.9
occ:1.00
 O B:HOH546 2.1 26.8 1.0
O B:HOH650 2.1 28.0 1.0
O B:HOH534 2.1 24.7 1.0
OE2 B:GLU252 2.1 16.9 1.0
O B:HOH527 2.2 20.9 1.0
OD1 B:ASP251 2.2 17.6 1.0
CD B:GLU252 3.1 18.3 1.0
CG B:ASP251 3.2 17.4 1.0
MG B:MG400 3.4 12.7 1.0
OD2 B:ASP251 3.4 16.4 1.0
CG B:GLU252 3.5 18.5 1.0
O3B B:PRP402 3.8 16.8 1.0
OD2 B:ASP111 3.8 25.4 1.0
O B:HOH504 4.1 25.4 0.5
OG1 B:THR115 4.2 24.6 1.0
OE1 B:GLU252 4.3 17.4 1.0
O B:ASP251 4.3 17.3 1.0
O B:HOH543 4.3 16.1 1.0
CB B:ASP251 4.5 15.3 1.0
O2B B:PRP402 4.5 21.4 1.0
O4 B:PRP402 4.6 24.4 1.0
C B:ASP251 4.6 18.3 1.0
CG B:ASP111 4.6 26.2 1.0
N B:ASP251 4.7 14.1 1.0
PB B:PRP402 4.7 17.8 1.0
CA B:ASP251 4.9 14.0 1.0
O2A B:PRP402 4.9 18.5 1.0
OD1 B:ASP111 5.0 29.8 1.0
CB B:GLU252 5.0 17.3 1.0

Reference:

G.L.Evans, E.N.Baker, J.S.Lott. Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd). To Be Published.
Page generated: Sun Sep 29 00:07:20 2024

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