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Magnesium in PDB 4giu: Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd).

Enzymatic activity of Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd).

All present enzymatic activity of Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd).:
2.4.2.18;

Protein crystallography data

The structure of Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd)., PDB code: 4giu 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) 56.37 / 1.67
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 111.442, 80.752, 78.723, 90.00, 90.00, 90.00
R / Rfree (%) 19.9 / 22.3

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd). (pdb code 4giu). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd)., PDB code: 4giu:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 4giu

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Magnesium binding site 1 out of 4 in the Bianthranilate-Like Analogue Bound in Inner Site of 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 Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg402

b:10.5
occ:1.00
 O2A A:PRP401 2.1 12.8 1.0
O2B A:PRP401 2.1 10.9 1.0
O A:HOH506 2.1 13.7 1.0
OG A:SER119 2.1 13.2 1.0
OE1 A:GLU252 2.1 14.1 1.0
O A:HOH723 2.2 12.0 1.0
CD A:GLU252 3.0 14.0 1.0
OE2 A:GLU252 3.1 13.8 1.0
CB A:SER119 3.1 11.4 1.0
MG A:MG403 3.3 19.0 1.0
PA A:PRP401 3.3 14.2 1.0
PB A:PRP401 3.4 13.6 1.0
O3A A:PRP401 3.6 18.4 1.0
O A:HOH724 3.7 21.8 1.0
N A:GLY107 3.9 10.6 1.0
OD2 A:ASP251 4.0 13.6 1.0
N A:SER119 4.0 10.2 1.0
O A:ASP251 4.1 12.9 1.0
CA A:SER119 4.1 10.6 1.0
O A:HOH503 4.2 14.3 1.0
OD1 A:ASP251 4.2 13.6 1.0
O4 A:PRP401 4.2 20.1 1.0
O1B A:PRP401 4.3 16.5 1.0
CA A:GLY107 4.3 9.3 1.0
CG A:ASP251 4.3 14.4 1.0
O3B A:PRP401 4.4 12.8 1.0
O1A A:PRP401 4.4 20.6 1.0
CG A:GLU252 4.4 13.8 1.0
O1 A:PRP401 4.4 18.5 1.0
C A:VAL106 4.6 9.5 1.0
C1 A:PRP401 4.6 16.1 1.0
O A:HOH728 4.8 24.7 1.0
O A:HOH587 4.9 22.2 1.0
CA A:VAL106 4.9 12.7 1.0

Magnesium binding site 2 out of 4 in 4giu

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Magnesium binding site 2 out of 4 in the Bianthranilate-Like Analogue Bound in Inner Site of 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 Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd). within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg403

b:19.0
occ:1.00
 O A:HOH581 2.0 18.6 1.0
O A:HOH728 2.1 24.7 1.0
O A:HOH724 2.1 21.8 1.0
OE1 A:GLU252 2.1 14.1 1.0
OD1 A:ASP251 2.1 13.6 1.0
O A:HOH723 2.2 12.0 1.0
CG A:ASP251 3.1 14.4 1.0
CD A:GLU252 3.2 14.0 1.0
MG A:MG402 3.3 10.5 1.0
OD2 A:ASP251 3.5 13.6 1.0
CG A:GLU252 3.5 13.8 1.0
O2B A:PRP401 3.7 10.9 1.0
OD2 A:ASP111 3.7 20.8 1.0
O A:HOH725 3.9 30.8 1.0
O A:HOH727 4.0 29.6 1.0
O A:HOH726 4.2 29.5 1.0
OG1 A:THR115 4.2 19.7 1.0
O A:HOH729 4.2 30.0 1.0
O A:ASP251 4.3 12.9 1.0
O A:HOH506 4.3 13.7 1.0
OE2 A:GLU252 4.3 13.8 1.0
O4 A:PRP401 4.4 20.1 1.0
CB A:ASP251 4.5 14.8 1.0
C A:ASP251 4.5 15.4 1.0
O1B A:PRP401 4.6 16.5 1.0
CG A:ASP111 4.6 24.2 1.0
N A:ASP251 4.7 12.1 1.0
PB A:PRP401 4.7 13.6 1.0
O2A A:PRP401 4.8 12.8 1.0
CA A:ASP251 4.8 13.7 1.0

Magnesium binding site 3 out of 4 in 4giu

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Magnesium binding site 3 out of 4 in the Bianthranilate-Like Analogue Bound in Inner Site of 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 Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg402

b:14.2
occ:1.00
 O3B B:PRP401 2.0 17.3 1.0
O B:HOH504 2.1 16.2 1.0
O1A B:PRP401 2.1 14.3 1.0
OG B:SER119 2.1 16.8 1.0
OE2 B:GLU252 2.1 17.9 1.0
O B:HOH509 2.1 16.9 1.0
CD B:GLU252 3.0 19.4 1.0
CB B:SER119 3.1 13.1 1.0
MG B:MG403 3.2 24.6 1.0
OE1 B:GLU252 3.3 19.8 1.0
PB B:PRP401 3.3 17.7 1.0
PA B:PRP401 3.3 17.1 1.0
O3A B:PRP401 3.5 24.0 1.0
O B:HOH631 3.6 26.2 1.0
OD2 B:ASP251 4.0 17.4 1.0
N B:GLY107 4.0 12.7 1.0
N B:SER119 4.0 17.6 1.0
CA B:SER119 4.1 14.3 1.0
O B:ASP251 4.2 18.4 1.0
O B:HOH513 4.2 18.5 1.0
OD1 B:ASP251 4.2 19.8 1.0
O2B B:PRP401 4.2 21.4 1.0
O4 B:PRP401 4.3 22.4 1.0
O1B B:PRP401 4.3 22.5 1.0
CA B:GLY107 4.3 12.3 1.0
CG B:ASP251 4.4 18.4 1.0
O2A B:PRP401 4.4 24.9 1.0
CG B:GLU252 4.4 20.3 1.0
O1 B:PRP401 4.4 23.4 1.0
C1 B:PRP401 4.6 22.9 1.0
O B:HOH695 4.6 30.3 1.0
C B:VAL106 4.6 13.6 1.0
CA B:VAL106 4.9 15.2 1.0
O B:HOH590 5.0 29.8 1.0

Magnesium binding site 4 out of 4 in 4giu

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Magnesium binding site 4 out of 4 in the Bianthranilate-Like Analogue Bound in Inner Site of 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 Bianthranilate-Like Analogue Bound in Inner Site of Anthranilate Phosphoribosyltransferase (Anprt; Trpd). within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg403

b:24.6
occ:1.00
 O B:HOH565 2.1 24.5 1.0
O B:HOH695 2.1 30.3 1.0
O B:HOH631 2.1 26.2 1.0
OD1 B:ASP251 2.1 19.8 1.0
OE2 B:GLU252 2.1 17.9 1.0
O B:HOH509 2.1 16.9 1.0
CG B:ASP251 3.1 18.4 1.0
CD B:GLU252 3.1 19.4 1.0
MG B:MG402 3.2 14.2 1.0
OD2 B:ASP251 3.4 17.4 1.0
CG B:GLU252 3.5 20.3 1.0
O B:HOH590 3.5 29.8 1.0
O3B B:PRP401 3.6 17.3 1.0
OD2 B:ASP111 3.9 27.6 1.0
O B:HOH504 4.1 16.2 1.0
OG1 B:THR115 4.2 24.9 1.0
O B:HOH581 4.2 31.6 1.0
O B:HOH633 4.2 31.1 1.0
O B:ASP251 4.2 18.4 1.0
OE1 B:GLU252 4.3 19.8 1.0
CB B:ASP251 4.5 18.9 1.0
C B:ASP251 4.5 17.5 1.0
O2B B:PRP401 4.6 21.4 1.0
O4 B:PRP401 4.6 22.4 1.0
O B:HOH704 4.6 36.4 1.0
PB B:PRP401 4.6 17.7 1.0
CG B:ASP111 4.7 30.3 1.0
N B:ASP251 4.7 19.1 1.0
O1A B:PRP401 4.8 14.3 1.0
CA B:ASP251 4.8 18.1 1.0
CB B:GLU252 5.0 19.1 1.0
OD1 B:ASP111 5.0 31.0 1.0

Reference:

G.L.Evans, S.A.Gamage, E.M.Bulloch, E.N.Baker, W.A.Denny, J.S.Lott. Repurposing the Chemical Scaffold of the Anti-Arthritic Drug Lobenzarit to Target Tryptophan Biosynthesis in Mycobacterium Tuberculosis. Chembiochem V. 15 852 2014.
ISSN: ISSN 1439-4227
PubMed: 24623674
DOI: 10.1002/CBIC.201300628
Page generated: Fri Aug 16 15:31:56 2024

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