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Magnesium in PDB 1fsg: Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions

Enzymatic activity of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions

All present enzymatic activity of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions:
2.4.2.8;

Protein crystallography data

The structure of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions, PDB code: 1fsg was solved by A.Heroux, E.L.White, L.J.Ross, A.P.Kuzin, D.W.Borhani, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 35.00 / 1.05
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 69.330, 90.180, 75.720, 90.00, 90.00, 90.00
R / Rfree (%) 12.2 / 15.4

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions (pdb code 1fsg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions, PDB code: 1fsg:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in 1fsg

Go back to Magnesium Binding Sites List in 1fsg
Magnesium binding site 1 out of 4 in the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg301

b:6.4
occ:1.00
 O1B A:PRP303 2.0 6.4 1.0
O A:HOH1931 2.0 7.4 1.0
O A:HOH1930 2.1 6.5 1.0
O2 A:PRP303 2.1 6.5 1.0
O3 A:PRP303 2.1 6.6 1.0
O1 A:PRP303 2.3 6.5 1.0
C2 A:PRP303 2.8 6.7 1.0
C3 A:PRP303 3.0 6.3 1.0
C1 A:PRP303 3.1 6.5 1.0
PB A:PRP303 3.2 6.5 1.0
O3A A:PRP303 3.3 6.6 1.0
PA A:PRP303 3.5 6.9 1.0
OE1 A:GLU146 4.0 6.5 0.6
O4 A:PRP303 4.0 6.9 1.0
OD2 A:ASP147 4.0 7.6 1.0
O2B A:PRP303 4.0 6.7 1.0
N A:GLY80 4.0 6.3 1.0
O A:HOH1009 4.0 8.1 1.0
C4 A:PRP303 4.1 6.8 1.0
OE1 A:GLU146 4.1 6.8 0.4
OE2 A:GLU146 4.1 9.3 0.6
OE2 A:GLU146 4.2 6.2 0.4
O3B A:PRP303 4.3 7.2 1.0
CA A:GLY80 4.4 6.7 1.0
O1A A:PRP303 4.4 7.5 1.0
O A:LEU78 4.4 7.1 1.0
CD A:GLU146 4.5 9.5 0.6
O A:LEU115 4.5 7.8 1.0
O2A A:PRP303 4.5 7.1 1.0
CG2 A:ILE77 4.5 7.8 1.0
CD A:GLU146 4.6 6.6 0.4
C A:LEU78 4.7 6.4 1.0
N A:LYS79 4.7 6.2 1.0
O A:ILE77 4.7 6.9 1.0
CG A:ASP147 4.8 6.9 1.0
O A:HOH1934 4.8 7.2 1.0
O A:HOH1007 4.9 7.5 1.0
OD1 A:ASP147 4.9 8.8 1.0

Magnesium binding site 2 out of 4 in 1fsg

Go back to Magnesium Binding Sites List in 1fsg
Magnesium binding site 2 out of 4 in the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg302

b:6.7
occ:1.00
 O2A A:PRP303 2.0 7.1 1.0
O A:HOH1934 2.0 7.2 1.0
O2B A:PRP303 2.1 6.7 1.0
OD1 A:ASP206 2.1 6.5 1.0
O A:HOH1933 2.1 8.1 1.0
O A:HOH1932 2.1 7.7 1.0
CG A:ASP206 3.1 6.8 1.0
PA A:PRP303 3.2 6.9 1.0
PB A:PRP303 3.3 6.5 1.0
OD2 A:ASP206 3.4 7.5 1.0
O3A A:PRP303 3.5 6.6 1.0
O1 A:PRP303 3.9 6.5 1.0
O A:HOH1007 3.9 7.5 1.0
NH2 A:ARG212 4.0 6.9 1.0
C1 A:PRP303 4.2 6.5 1.0
O A:ASP206 4.3 7.8 1.0
O1B A:PRP303 4.3 6.4 1.0
O3B A:PRP303 4.3 7.2 1.0
NH1 A:ARG212 4.4 6.8 1.0
O A:HOH1012 4.4 9.3 1.0
CB A:ASP206 4.5 6.9 1.0
O1A A:PRP303 4.5 7.5 1.0
N3 A:9DG304 4.5 7.1 1.0
O A:HOH1029 4.5 11.3 1.0
O A:HOH1045 4.6 18.1 1.0
CZ A:ARG212 4.6 6.6 1.0
N A:ASP206 4.7 6.2 1.0
O2 A:PRP303 4.7 6.5 1.0
C A:ASP206 4.8 6.9 1.0
CA A:ASP206 4.9 6.4 1.0
CB A:TYR118 4.9 9.0 1.0

Magnesium binding site 3 out of 4 in 1fsg

Go back to Magnesium Binding Sites List in 1fsg
Magnesium binding site 3 out of 4 in the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg301

b:8.0
occ:1.00
 O1B C:PRP303 2.0 7.9 1.0
O C:HOH1935 2.0 8.0 1.0
O C:HOH1936 2.0 8.9 1.0
O2 C:PRP303 2.1 8.5 1.0
O3 C:PRP303 2.1 8.3 1.0
O1 C:PRP303 2.3 8.2 1.0
C2 C:PRP303 2.8 8.3 1.0
C3 C:PRP303 3.0 8.1 1.0
C1 C:PRP303 3.1 8.5 1.0
PB C:PRP303 3.2 8.0 1.0
O3A C:PRP303 3.3 8.5 1.0
PA C:PRP303 3.5 8.4 1.0
OE1 C:GLU146 3.9 9.0 0.5
O4 C:PRP303 4.0 8.6 1.0
O2B C:PRP303 4.0 8.2 1.0
OE1 C:GLU146 4.0 8.2 0.5
OD2 C:ASP147 4.0 9.0 1.0
N C:GLY80 4.0 7.6 1.0
O C:HOH1075 4.0 9.8 1.0
C4 C:PRP303 4.1 8.4 1.0
OE2 C:GLU146 4.1 8.4 0.5
OE2 C:GLU146 4.2 10.1 0.5
CA C:GLY80 4.3 7.8 1.0
O3B C:PRP303 4.3 8.6 1.0
O1A C:PRP303 4.4 9.0 1.0
O C:LEU78 4.4 8.7 1.0
CD C:GLU146 4.5 9.5 0.5
CD C:GLU146 4.5 11.3 0.5
O C:LEU115 4.5 9.3 1.0
CG2 C:ILE77 4.5 9.3 1.0
O2A C:PRP303 4.5 8.6 1.0
O C:ILE77 4.7 8.5 1.0
N C:LYS79 4.7 7.8 1.0
C C:LEU78 4.7 7.2 1.0
CG C:ASP147 4.9 8.4 1.0
O C:HOH1939 4.9 9.1 1.0
O C:HOH1073 4.9 9.4 1.0
OD1 C:ASP147 5.0 9.9 1.0

Magnesium binding site 4 out of 4 in 1fsg

Go back to Magnesium Binding Sites List in 1fsg
Magnesium binding site 4 out of 4 in the Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Toxoplasma Gondii Hypoxanthine-Guanine Phosphoribosyltransferase Complexed with 9-Deazaguanine, Alpha-D-5-Phosphoribosyl-1- Pyrophosphate (Prpp) and Two MG2+ Ions within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Mg302

b:8.5
occ:1.00
 O2A C:PRP303 2.0 8.6 1.0
O2B C:PRP303 2.0 8.2 1.0
O C:HOH1939 2.1 9.1 1.0
OD1 C:ASP206 2.1 8.2 1.0
O C:HOH1938 2.1 9.2 1.0
O C:HOH1937 2.1 9.0 1.0
CG C:ASP206 3.1 8.2 1.0
PA C:PRP303 3.2 8.4 1.0
PB C:PRP303 3.3 8.0 1.0
OD2 C:ASP206 3.4 9.2 1.0
O3A C:PRP303 3.5 8.5 1.0
O1 C:PRP303 3.9 8.2 1.0
O C:HOH1073 3.9 9.4 1.0
NH2 C:ARG212 4.0 8.3 1.0
C1 C:PRP303 4.2 8.5 1.0
O C:ASP206 4.3 9.4 1.0
O1B C:PRP303 4.3 7.9 1.0
O3B C:PRP303 4.4 8.6 1.0
NH1 C:ARG212 4.4 8.4 1.0
O C:HOH1078 4.4 10.6 1.0
CB C:ASP206 4.4 8.0 1.0
N3 C:9DG304 4.5 9.0 1.0
O1A C:PRP303 4.5 9.0 1.0
O C:HOH1095 4.5 11.6 1.0
O C:HOH1109 4.5 19.7 1.0
CZ C:ARG212 4.7 8.3 1.0
N C:ASP206 4.7 8.1 1.0
O2 C:PRP303 4.7 8.5 1.0
C C:ASP206 4.8 8.2 1.0
CA C:ASP206 4.9 8.0 1.0
CB C:TYR118 4.9 10.9 1.0
C2 C:PRP303 5.0 8.3 1.0

Reference:

A.Heroux, E.L.White, L.J.Ross, A.P.Kuzin, D.W.Borhani. Substrate Deformation in A Hypoxanthine-Guanine Phosphoribosyltransferase Ternary Complex: the Structural Basis For Catalysis. Structure Fold.Des. V. 8 1309 2000.
ISSN: ISSN 0969-2126
PubMed: 11188695
DOI: 10.1016/S0969-2126(00)00546-3
Page generated: Tue Aug 13 03:35:07 2024

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