Atomistry » Magnesium » PDB 4zi2-4zol » 4zok
Atomistry »
  Magnesium »
    PDB 4zi2-4zol »
      4zok »

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

Go back to Magnesium Binding Sites List in 4zok
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

Go back to Magnesium Binding Sites List in 4zok
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

Go back to Magnesium Binding Sites List in 4zok
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

Go back to Magnesium Binding Sites List in 4zok
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: Sun Sep 29 00:08:04 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy