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Magnesium in PDB 4zoj: Methylsulfanyl-Containing Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)

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

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

Protein crystallography data

The structure of Methylsulfanyl-Containing Inhibitor Bound in the Active Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd), PDB code: 4zoj 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) 39.60 / 1.96
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 79.200, 111.200, 78.500, 90.00, 90.00, 90.00
R / Rfree (%) 21.5 / 25.9

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 4 in 4zoj

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Magnesium binding site 1 out of 4 in the Methylsulfanyl-Containing 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 Methylsulfanyl-Containing 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:27.4
occ:1.00
 O A:HOH571 2.1 33.7 1.0
O A:HOH647 2.1 33.7 1.0
O A:HOH505 2.1 23.0 1.0
OE1 A:GLU252 2.1 18.5 1.0
O A:HOH536 2.2 27.5 1.0
OD1 A:ASP251 2.3 21.2 1.0
CD A:GLU252 3.1 18.3 1.0
CG A:ASP251 3.2 22.1 1.0
CG A:GLU252 3.3 18.3 1.0
MG A:MG401 3.3 17.7 1.0
OD2 A:ASP251 3.5 19.2 1.0
O2B A:PRP402 3.6 15.7 1.0
O A:HOH576 3.7 36.9 1.0
OD2 A:ASP111 3.9 26.8 1.0
O A:HOH539 4.1 17.4 1.0
O A:HOH532 4.1 33.9 1.0
O A:HOH561 4.1 39.6 1.0
OG1 A:THR115 4.2 23.6 1.0
OE2 A:GLU252 4.2 20.9 1.0
O A:ASP251 4.3 18.0 1.0
C A:ASP251 4.5 22.5 1.0
CB A:ASP251 4.6 21.4 1.0
O4 A:PRP402 4.6 29.4 1.0
O3B A:PRP402 4.6 24.7 1.0
PB A:PRP402 4.7 25.0 1.0
N A:ASP251 4.7 17.8 1.0
CG A:ASP111 4.8 32.2 1.0
CB A:GLU252 4.8 15.9 1.0
CA A:ASP251 4.8 19.8 1.0
O1A A:PRP402 4.8 18.6 1.0

Magnesium binding site 2 out of 4 in 4zoj

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Magnesium binding site 2 out of 4 in the Methylsulfanyl-Containing 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 Methylsulfanyl-Containing 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:17.7
occ:1.00
 O1A A:PRP402 2.1 18.6 1.0
O2B A:PRP402 2.1 15.7 1.0
OE1 A:GLU252 2.1 18.5 1.0
O A:HOH539 2.1 17.4 1.0
O A:HOH505 2.2 23.0 1.0
OG A:SER119 2.2 18.0 1.0
CD A:GLU252 3.0 18.3 1.0
CB A:SER119 3.1 15.8 1.0
OE2 A:GLU252 3.2 20.9 1.0
PB A:PRP402 3.2 25.0 1.0
PA A:PRP402 3.3 23.1 1.0
MG A:MG400 3.3 27.4 1.0
O3A A:PRP402 3.6 29.9 1.0
O A:HOH536 3.6 27.5 1.0
OD2 A:ASP251 3.9 19.2 1.0
N A:SER119 4.0 19.4 1.0
N A:GLY107 4.1 17.1 1.0
O1B A:PRP402 4.1 24.6 1.0
CA A:SER119 4.1 22.0 1.0
O2A A:PRP402 4.2 24.8 1.0
O4 A:PRP402 4.2 29.4 1.0
O3B A:PRP402 4.2 24.7 1.0
O A:HOH611 4.2 20.0 1.0
O A:ASP251 4.3 18.0 1.0
O1 A:PRP402 4.3 24.3 1.0
OD1 A:ASP251 4.3 21.2 1.0
CA A:GLY107 4.4 17.9 1.0
CG A:GLU252 4.4 18.3 1.0
CG A:ASP251 4.4 22.1 1.0
C1 A:PRP402 4.5 25.4 1.0
O A:HOH647 4.5 33.7 1.0
C A:VAL106 4.7 19.2 1.0
O A:HOH511 5.0 25.7 1.0

Magnesium binding site 3 out of 4 in 4zoj

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Magnesium binding site 3 out of 4 in the Methylsulfanyl-Containing 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 Methylsulfanyl-Containing 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:26.9
occ:1.00
 OE2 B:GLU252 2.1 29.8 1.0
O1B B:PRP402 2.1 23.9 1.0
OG B:SER119 2.1 26.0 1.0
O B:HOH504 2.1 33.9 1.0
O B:HOH527 2.1 21.4 1.0
O2A B:PRP402 2.2 25.3 1.0
CD B:GLU252 2.9 28.1 1.0
CB B:SER119 3.1 17.9 1.0
OE1 B:GLU252 3.1 23.4 1.0
PB B:PRP402 3.4 36.6 1.0
MG B:MG401 3.4 35.2 1.0
PA B:PRP402 3.4 34.4 1.0
O B:HOH552 3.6 31.8 1.0
O3A B:PRP402 3.8 39.1 1.0
OD2 B:ASP251 3.9 31.2 1.0
N B:SER119 4.0 22.9 1.0
N B:GLY107 4.1 20.2 1.0
CA B:SER119 4.1 23.2 1.0
O B:ASP251 4.1 26.1 1.0
O2B B:PRP402 4.2 39.7 1.0
O4 B:PRP402 4.2 46.0 1.0
OD1 B:ASP251 4.2 33.1 1.0
O B:HOH582 4.3 25.5 1.0
O1A B:PRP402 4.3 35.6 1.0
O3B B:PRP402 4.3 30.8 1.0
CG B:ASP251 4.3 31.5 1.0
CG B:GLU252 4.3 27.7 1.0
CA B:GLY107 4.5 19.4 1.0
O1 B:PRP402 4.5 38.1 1.0
C1 B:PRP402 4.6 38.4 1.0
C B:VAL106 4.6 26.0 1.0
O B:HOH602 4.8 44.9 1.0
CA B:VAL106 4.9 25.2 1.0

Magnesium binding site 4 out of 4 in 4zoj

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Magnesium binding site 4 out of 4 in the Methylsulfanyl-Containing 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 Methylsulfanyl-Containing 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:35.2
occ:1.00
 O B:HOH602 2.1 44.9 1.0
O B:HOH577 2.1 39.6 1.0
O B:HOH504 2.1 33.9 1.0
O B:HOH552 2.2 31.8 1.0
OE2 B:GLU252 2.2 29.8 1.0
OD1 B:ASP251 2.3 33.1 1.0
CD B:GLU252 3.2 28.1 1.0
CG B:ASP251 3.2 31.5 1.0
MG B:MG400 3.4 26.9 1.0
CG B:GLU252 3.5 27.7 1.0
OD2 B:ASP251 3.5 31.2 1.0
O B:HOH503 3.6 43.1 1.0
O1B B:PRP402 3.8 23.9 1.0
OG1 B:THR115 4.2 39.6 1.0
OD2 B:ASP111 4.3 49.6 1.0
OE1 B:GLU252 4.4 23.4 1.0
O2B B:PRP402 4.4 39.7 1.0
O B:ASP251 4.5 26.1 1.0
O B:HOH527 4.5 21.4 1.0
O4 B:PRP402 4.5 46.0 1.0
OD1 B:ASP111 4.6 53.6 1.0
CB B:ASP251 4.6 28.9 1.0
C B:ASP251 4.7 30.6 1.0
CG B:ASP111 4.7 49.2 1.0
PB B:PRP402 4.7 36.6 1.0
N B:ASP251 4.9 29.7 1.0
CA B:ASP251 5.0 30.2 1.0
O2A B:PRP402 5.0 25.3 1.0
CB B:GLU252 5.0 27.3 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 00:07:36 2024

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