Magnesium in PDB 4zok: Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)

Enzymatic activity of Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd)

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

Protein crystallography data

The structure of Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd), PDB code: 4zok 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) 35.50 / 2.34
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 94.600, 77.700, 101.500, 90.00, 110.90, 90.00
R / Rfree (%) 20.2 / 26.3

Magnesium Binding Sites:

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

Magnesium binding site 1 out of 4 in 4zok

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Magnesium binding site 1 out of 4 in the Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture 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 Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg400

b:21.8
occ:0.90
 OE2 A:GLU252 2.0 28.9 1.0
O1A A:PRP402 2.0 29.8 1.0
O A:HOH503 2.1 23.8 1.0
O A:HOH505 2.1 31.9 1.0
O3B A:PRP402 2.1 21.9 1.0
OG A:SER119 2.1 30.1 1.0
CB A:SER119 3.1 28.3 1.0
CD A:GLU252 3.1 38.1 1.0
PA A:PRP402 3.4 29.4 1.0
PB A:PRP402 3.4 36.4 1.0
MG A:MG401 3.6 40.1 0.9
OE1 A:GLU252 3.6 48.0 1.0
OD2 A:ASP251 3.7 35.2 1.0
O3A A:PRP402 3.8 39.9 1.0
N A:GLY107 3.9 27.1 1.0
O2A A:PRP402 4.0 42.8 1.0
N A:SER119 4.1 30.0 1.0
O4 A:PRP402 4.1 48.4 1.0
CA A:SER119 4.2 24.0 1.0
O2B A:PRP402 4.2 29.9 1.0
CA A:GLY107 4.2 24.1 1.0
O1B A:PRP402 4.3 44.0 1.0
O A:HOH562 4.3 36.5 1.0
CG A:ASP251 4.3 37.7 1.0
CG A:GLU252 4.3 33.1 1.0
O A:HOH554 4.3 25.4 0.9
O A:ASP251 4.4 22.7 1.0
OD1 A:ASP251 4.4 41.3 1.0
O1 A:PRP402 4.5 41.9 1.0
C A:VAL106 4.6 31.1 1.0
C1 A:PRP402 4.6 39.1 1.0
CA A:VAL106 4.8 25.5 1.0

Magnesium binding site 2 out of 4 in 4zok

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Magnesium binding site 2 out of 4 in the Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture 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 Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg401

b:40.1
occ:0.90
 O A:HOH520 2.1 51.5 1.0
O A:HOH562 2.1 36.5 1.0
O A:HOH505 2.1 31.9 1.0
OD1 A:ASP251 2.1 41.3 1.0
CG A:ASP251 2.9 37.7 1.0
OD2 A:ASP251 3.0 35.2 1.0
OE2 A:GLU252 3.2 28.9 1.0
OD2 A:ASP111 3.3 52.4 1.0
MG A:MG400 3.6 21.8 0.9
CG A:GLU252 3.9 33.1 1.0
O3B A:PRP402 3.9 21.9 1.0
CD A:GLU252 4.0 38.1 1.0
CG A:ASP111 4.3 51.0 1.0
CB A:ASP251 4.3 22.9 1.0
O A:HOH503 4.4 23.8 1.0
O4 A:PRP402 4.5 48.4 1.0
OG1 A:THR115 4.5 39.4 1.0
O A:ASP251 4.6 22.7 1.0
N A:ASP251 4.6 26.0 1.0
O1B A:PRP402 4.7 44.0 1.0
C A:ASP251 4.8 28.0 1.0
OD1 A:ASP111 4.8 60.7 1.0
CA A:ASP251 4.8 31.4 1.0
O1A A:PRP402 4.8 29.8 1.0
PB A:PRP402 5.0 36.4 1.0
C5 A:PRP402 5.0 40.0 1.0

Magnesium binding site 3 out of 4 in 4zok

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Magnesium binding site 3 out of 4 in the Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture 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 Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg400

b:27.9
occ:0.70
 O B:HOH505 2.1 37.4 1.0
O B:HOH503 2.1 41.3 1.0
OG B:SER119 2.1 40.1 1.0
OE1 B:GLU252 2.1 42.6 1.0
O3B B:PRP402 2.1 43.5 1.0
O2A B:PRP402 2.2 33.7 1.0
MG B:MG401 2.9 44.3 0.7
CD B:GLU252 3.1 43.2 1.0
CB B:SER119 3.2 30.2 1.0
OE2 B:GLU252 3.4 47.9 1.0
PB B:PRP402 3.5 38.5 1.0
PA B:PRP402 3.5 33.8 1.0
O B:HOH528 3.5 41.6 1.0
OD2 B:ASP251 3.7 37.9 1.0
N B:GLY107 3.7 33.8 1.0
O3A B:PRP402 3.9 47.1 1.0
CA B:GLY107 4.0 33.0 1.0
O4 B:PRP402 4.1 52.1 1.0
O1A B:PRP402 4.2 52.2 1.0
N B:SER119 4.3 29.0 1.0
O2B B:PRP402 4.3 54.5 1.0
CA B:SER119 4.3 25.8 1.0
O1B B:PRP402 4.3 35.9 1.0
O B:ASP251 4.4 35.7 1.0
CG B:ASP251 4.4 35.7 1.0
C B:VAL106 4.5 35.4 1.0
CG B:GLU252 4.5 32.7 1.0
O1 B:PRP402 4.5 49.4 1.0
C1 B:PRP402 4.6 43.0 1.0
OD1 B:ASP251 4.7 45.3 1.0
CA B:VAL106 4.8 28.1 1.0
C B:GLY107 4.9 37.4 1.0

Magnesium binding site 4 out of 4 in 4zok

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Magnesium binding site 4 out of 4 in the Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture 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 Methylsulfonyl-Containing Inhibitor Bound in the Substrate Capture Site of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase (Anprt; Trpd) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg401

b:44.3
occ:0.70
 O B:HOH503 2.1 41.3 1.0
O B:HOH528 2.1 41.6 1.0
OD1 B:ASP251 2.1 45.3 1.0
OE1 B:GLU252 2.1 42.6 1.0
OD2 B:ASP251 2.1 37.9 1.0
CG B:ASP251 2.3 35.7 1.0
MG B:MG400 2.9 27.9 0.7
CD B:GLU252 3.1 43.2 1.0
CG B:GLU252 3.6 32.7 1.0
O3B B:PRP402 3.8 43.5 1.0
CB B:ASP251 3.8 26.7 1.0
O B:ASP251 3.8 35.7 1.0
O B:HOH505 4.0 37.4 1.0
C B:ASP251 4.2 35.4 1.0
OD2 B:ASP111 4.2 61.6 1.0
OE2 B:GLU252 4.2 47.9 1.0
CA B:ASP251 4.4 32.5 1.0
O4 B:PRP402 4.5 52.1 1.0
O2A B:PRP402 4.5 33.7 1.0
N B:ASP251 4.6 30.4 1.0
OG B:SER119 4.7 40.1 1.0
O2B B:PRP402 4.8 54.5 1.0
CA B:GLY109 4.8 31.9 1.0
PB B:PRP402 4.9 38.5 1.0
N B:GLU252 4.9 34.2 1.0
CB B:GLU252 5.0 31.8 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: Mon Dec 14 19:58:06 2020

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