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Magnesium in PDB 3qsa: Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7)

Enzymatic activity of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7)

All present enzymatic activity of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7):
2.4.2.18;

Protein crystallography data

The structure of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7), PDB code: 3qsa was solved by A.Castell, F.L.Short, 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) 72.85 / 2.18
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.072, 91.459, 120.501, 90.00, 90.00, 90.00
R / Rfree (%) 19.7 / 25.7

Other elements in 3qsa:

The structure of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7) also contains other interesting chemical elements:

Fluorine (F) 6 atoms

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7) (pdb code 3qsa). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7), PDB code: 3qsa:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 3qsa

Go back to Magnesium Binding Sites List in 3qsa
Magnesium binding site 1 out of 4 in the Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:17.4
occ:1.00
 O1A A:PRP401 1.9 21.1 1.0
O3B A:PRP401 1.9 18.8 1.0
O A:HOH501 2.1 15.6 1.0
OE2 A:GLU252 2.2 25.2 1.0
O A:HOH502 2.2 16.1 1.0
OG A:SER119 2.2 16.9 1.0
PB A:PRP401 3.0 20.3 1.0
PA A:PRP401 3.1 21.3 1.0
CB A:SER119 3.1 14.7 1.0
O3A A:PRP401 3.3 21.6 1.0
CD A:GLU252 3.3 22.6 1.0
OD2 A:ASP251 3.8 15.3 1.0
O A:HOH646 3.8 16.3 1.0
OE1 A:GLU252 3.8 22.0 1.0
MG A:MG403 3.9 34.0 1.0
N A:GLY107 3.9 15.7 1.0
O4 A:PRP401 3.9 23.4 1.0
N A:SER119 4.0 15.4 1.0
O2A A:PRP401 4.1 24.4 1.0
O2B A:PRP401 4.1 22.5 1.0
CA A:SER119 4.1 15.3 1.0
O1 A:PRP401 4.2 22.4 1.0
CA A:GLY107 4.2 15.4 1.0
O1B A:PRP401 4.3 19.4 1.0
C1 A:PRP401 4.3 22.9 1.0
O A:ASP251 4.3 14.8 1.0
CG A:ASP251 4.4 16.8 1.0
O A:HOH636 4.4 20.5 1.0
OD1 A:ASP251 4.5 17.2 1.0
CG A:GLU252 4.6 18.6 1.0
C A:VAL106 4.7 15.9 1.0
CA A:VAL106 4.9 15.3 1.0

Magnesium binding site 2 out of 4 in 3qsa

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Magnesium binding site 2 out of 4 in the Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:34.0
occ:1.00
 OD1 A:ASP251 2.5 17.2 1.0
O A:HOH646 2.6 16.3 1.0
OE2 A:GLU252 2.9 25.2 1.0
OD2 A:ASP111 2.9 34.2 1.0
O A:HOH501 3.0 15.6 1.0
CG A:GLU252 3.4 18.6 1.0
CG A:ASP251 3.5 16.8 1.0
CD A:GLU252 3.6 22.6 1.0
OD2 A:ASP251 3.8 15.3 1.0
OG1 A:THR115 3.8 32.9 1.0
MG A:MG402 3.9 17.4 1.0
CG A:ASP111 4.1 30.6 1.0
O3B A:PRP401 4.1 18.8 1.0
O A:ASP251 4.5 14.8 1.0
O A:HOH502 4.6 16.1 1.0
OD1 A:ASP111 4.6 30.6 1.0
N A:ASP251 4.6 16.4 1.0
C A:ASP251 4.7 15.9 1.0
CB A:ASP251 4.8 16.0 1.0
O2B A:PRP401 4.8 22.5 1.0
OE1 A:GLU252 4.8 22.0 1.0
CB A:GLU252 4.9 16.7 1.0
CA A:ASP251 5.0 16.4 1.0

Magnesium binding site 3 out of 4 in 3qsa

Go back to Magnesium Binding Sites List in 3qsa
Magnesium binding site 3 out of 4 in the Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:19.3
occ:1.00
 O3B B:PRP401 1.9 16.1 1.0
OG B:SER119 2.1 14.1 1.0
O B:HOH532 2.1 16.4 1.0
O1A B:PRP401 2.2 14.6 1.0
OE2 B:GLU252 2.2 19.2 1.0
O B:HOH501 2.2 12.4 1.0
CB B:SER119 3.0 12.5 1.0
CD B:GLU252 3.1 20.7 1.0
PB B:PRP401 3.1 16.4 1.0
PA B:PRP401 3.2 17.6 1.0
OE1 B:GLU252 3.3 20.4 1.0
O3A B:PRP401 3.4 18.4 1.0
MG B:MG403 3.8 38.1 1.0
N B:SER119 3.8 12.4 1.0
CA B:SER119 4.0 12.4 1.0
N B:GLY107 4.0 15.2 1.0
OD2 B:ASP251 4.0 20.2 1.0
O2A B:PRP401 4.2 21.4 1.0
O1B B:PRP401 4.2 19.1 1.0
O4 B:PRP401 4.2 23.6 1.0
O2B B:PRP401 4.3 18.0 1.0
O B:HOH606 4.3 16.2 1.0
O B:HOH502 4.4 36.8 1.0
O1 B:PRP401 4.4 19.9 1.0
O B:ASP251 4.4 20.8 1.0
CA B:GLY107 4.4 15.8 1.0
CG B:GLU252 4.5 20.8 1.0
OD1 B:ASP251 4.5 21.2 1.0
CG B:ASP251 4.5 19.5 1.0
C1 B:PRP401 4.7 19.7 1.0
C B:VAL106 4.7 15.1 1.0
O B:HOH634 5.0 15.5 1.0
CA B:VAL106 5.0 14.6 1.0

Magnesium binding site 4 out of 4 in 3qsa

Go back to Magnesium Binding Sites List in 3qsa
Magnesium binding site 4 out of 4 in the Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7)


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Anthranilate Phosphoribosyltransferase (Trpd) From Mycobacterium Tuberculosis (Complex with Inhibitor Tamu-A7) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:38.1
occ:1.00
 OD1 B:ASP251 2.5 21.2 1.0
OE2 B:GLU252 2.6 19.2 1.0
O B:HOH502 2.8 36.8 1.0
O B:HOH532 2.8 16.4 1.0
OD2 B:ASP111 3.4 33.3 1.0
CD B:GLU252 3.4 20.7 1.0
CG B:GLU252 3.5 20.8 1.0
CG B:ASP251 3.5 19.5 1.0
MG B:MG402 3.8 19.3 1.0
OG1 B:THR115 3.8 26.4 1.0
OD2 B:ASP251 3.8 20.2 1.0
O3B B:PRP401 3.9 16.1 1.0
CG B:ASP111 4.2 31.0 1.0
OD1 B:ASP111 4.6 31.7 1.0
OE1 B:GLU252 4.6 20.4 1.0
O2B B:PRP401 4.7 18.0 1.0
O B:HOH501 4.7 12.4 1.0
O B:ASP251 4.7 20.8 1.0
N B:ASP251 4.8 21.2 1.0
C B:ASP251 4.8 20.6 1.0
CB B:ASP251 4.9 19.7 1.0
PB B:PRP401 4.9 16.4 1.0
CB B:GLU252 5.0 20.2 1.0

Reference:

A.Castell, L.F.Short, G.Evans, E.M.Bulloch, T.Cookson, E.Parker, C.Lee, E.N.Baker, J.S.Lott. Inhibition of Mycobacterium Tuberculosis Anthranilate Phosphoribosyltransferase By Blocking of An Active Site Entrance Tunnel. To Be Published.
Page generated: Thu Aug 15 10:08:40 2024

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