Atomistry » Magnesium » PDB 3qpp-3r10 » 3qsa
Atomistry »
  Magnesium »
    PDB 3qpp-3r10 »
      3qsa »

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

Go back to Magnesium Binding Sites List in 3qsa
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

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy