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Magnesium in PDB 1tc2: Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi

Enzymatic activity of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi

All present enzymatic activity of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi:
2.4.2.8;

Protein crystallography data

The structure of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi, PDB code: 1tc2 was solved by P.J.Focia, S.P.Craig Iii, A.E.Eakin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 6.00 / 1.81
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 39.420, 101.760, 51.920, 90.00, 94.23, 90.00
R / Rfree (%) 18.3 / 23.2

Other elements in 1tc2:

The structure of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi also contains other interesting chemical elements:

Manganese (Mn) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi (pdb code 1tc2). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi, PDB code: 1tc2:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 1tc2

Go back to Magnesium Binding Sites List in 1tc2
Magnesium binding site 1 out of 3 in the Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg900

b:20.0
occ:1.00
 O A:HOH1282 2.0 19.9 1.0
O A:HOH1283 2.0 20.9 1.0
O2 A:PRP801 2.2 25.5 1.0
O3B A:PRP801 2.2 15.8 1.0
O3 A:PRP801 2.3 27.6 1.0
O1 A:PRP801 2.5 21.0 1.0
C2 A:PRP801 2.9 27.1 1.0
C3 A:PRP801 3.0 28.1 1.0
C1 A:PRP801 3.3 25.1 1.0
PB A:PRP801 3.3 16.8 1.0
O3A A:PRP801 3.3 19.4 1.0
PA A:PRP801 3.7 18.3 1.0
OE2 A:GLU111 3.8 26.0 1.0
O A:LEU51 3.9 18.2 1.0
OD1 A:ASP112 3.9 25.3 1.0
O A:HOH1126 4.1 70.7 1.0
OE1 A:GLU111 4.1 25.1 1.0
C4 A:PRP801 4.1 27.6 1.0
O4 A:PRP801 4.2 26.7 1.0
O2B A:PRP801 4.2 17.3 1.0
O1B A:PRP801 4.3 15.2 1.0
N A:GLY53 4.3 18.2 1.0
N A:LYS52 4.3 16.1 1.0
C A:LEU51 4.4 17.9 1.0
CD A:GLU111 4.4 24.7 1.0
O A:HOH1215 4.5 60.9 1.0
O A:VAL50 4.5 17.2 1.0
OD2 A:ASP112 4.6 29.2 1.0
O2A A:PRP801 4.6 16.7 1.0
CG A:ASP112 4.6 25.2 1.0
O1A A:PRP801 4.7 16.3 1.0
CA A:GLY53 4.7 16.0 1.0
CG1 A:VAL50 4.8 10.6 1.0
O A:HOH1286 4.9 19.8 1.0

Magnesium binding site 2 out of 3 in 1tc2

Go back to Magnesium Binding Sites List in 1tc2
Magnesium binding site 2 out of 3 in the Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg902

b:19.2
occ:1.00
 O A:HOH1286 2.0 19.8 1.0
O2A A:PRP801 2.1 16.7 1.0
O A:HOH1284 2.1 21.5 1.0
O A:HOH1285 2.1 19.8 1.0
OD1 A:ASP171 2.1 21.0 1.0
O1B A:PRP801 2.2 15.2 1.0
CG A:ASP171 3.1 22.5 1.0
PA A:PRP801 3.3 18.3 1.0
OD2 A:ASP171 3.4 23.1 1.0
PB A:PRP801 3.4 16.8 1.0
O3A A:PRP801 3.6 19.4 1.0
NH2 A:ARG177 4.0 12.2 1.0
O A:HOH1070 4.0 48.9 1.0
O1 A:PRP801 4.1 21.0 1.0
O A:ASP171 4.1 19.5 1.0
NH1 A:ARG177 4.2 12.0 1.0
C1 A:PRP801 4.2 25.1 1.0
O3B A:PRP801 4.3 15.8 1.0
N3 A:7HP800 4.3 25.0 1.0
O2B A:PRP801 4.4 17.3 1.0
O1A A:PRP801 4.4 16.3 1.0
CB A:ASP171 4.5 18.2 1.0
O A:HOH1071 4.5 28.5 1.0
CZ A:ARG177 4.5 13.3 1.0
N A:ASP171 4.6 13.1 1.0
O2 A:PRP801 4.6 25.5 1.0
O A:HOH1073 4.6 40.8 1.0
C A:ASP171 4.7 21.0 1.0
CA A:ASP171 4.8 17.7 1.0
C2 A:PRP801 5.0 27.1 1.0

Magnesium binding site 3 out of 3 in 1tc2

Go back to Magnesium Binding Sites List in 1tc2
Magnesium binding site 3 out of 3 in the Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Ternary Substrate Complex of the Hypoxanthine Phosphoribosyltransferase From Trypanosoma Cruzi within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg912

b:15.4
occ:1.00
 O B:HOH1289 2.0 17.2 1.0
O2A B:PRP811 2.0 12.5 1.0
O B:HOH1288 2.1 17.1 1.0
OD1 B:ASP671 2.1 16.4 1.0
O B:HOH1287 2.1 15.4 1.0
O1B B:PRP811 2.2 16.1 1.0
CG B:ASP671 3.1 15.1 1.0
PA B:PRP811 3.2 16.3 1.0
OD2 B:ASP671 3.3 14.7 1.0
PB B:PRP811 3.4 15.0 1.0
O3A B:PRP811 3.5 16.7 1.0
O B:HOH1031 3.6 24.6 1.0
O1 B:PRP811 3.9 16.5 1.0
NH2 B:ARG677 4.0 13.7 1.0
C1 B:PRP811 4.1 14.3 1.0
O B:ASP671 4.2 17.2 1.0
O B:HOH1025 4.3 24.2 1.0
O3B B:PRP811 4.3 13.6 1.0
O B:HOH1022 4.3 19.8 1.0
O2B B:PRP811 4.3 14.5 1.0
NH1 B:ARG677 4.4 15.1 1.0
O1A B:PRP811 4.5 17.0 1.0
N3 B:7HP810 4.5 16.5 1.0
CB B:ASP671 4.5 13.4 1.0
CB B:TYR582 4.6 24.0 1.0
O B:GLY583 4.6 27.6 1.0
CZ B:ARG677 4.6 15.5 1.0
C B:ASP671 4.7 17.3 1.0
O B:HOH1024 4.8 28.1 1.0
N B:ASP671 4.8 12.9 1.0
O2 B:PRP811 4.8 15.9 1.0
CA B:ASP671 4.9 15.3 1.0
C2 B:PRP811 5.0 14.6 1.0

Reference:

P.J.Focia, S.P.Craig Iii, A.E.Eakin. Approaching the Transition State in the Crystal Structure of A Phosphoribosyltransferase. Biochemistry V. 37 17120 1998.
ISSN: ISSN 0006-2960
PubMed: 9860824
DOI: 10.1021/BI9821465
Page generated: Tue Aug 13 14:31:26 2024

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