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Magnesium in PDB 2tps: Thiamin Phosphate Synthase

Enzymatic activity of Thiamin Phosphate Synthase

All present enzymatic activity of Thiamin Phosphate Synthase:
2.5.1.3;

Protein crystallography data

The structure of Thiamin Phosphate Synthase, PDB code: 2tps was solved by H.-J.Chiu, J.J.Reddick, T.P.Begley, S.E.Ealick, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 1.25
Space group P 43 21 2
Cell size a, b, c (Å), α, β, γ (°) 76.830, 76.830, 140.100, 90.00, 90.00, 90.00
R / Rfree (%) 17.9 / 22.2

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Thiamin Phosphate Synthase (pdb code 2tps). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Thiamin Phosphate Synthase, PDB code: 2tps:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 2tps

Go back to Magnesium Binding Sites List in 2tps
Magnesium binding site 1 out of 2 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Mg2005

b:8.5
occ:0.72
O A:HOH3051 2.0 16.9 1.0
O6 A:POP2003 2.1 9.7 0.7
OD1 A:ASP93 2.1 14.1 1.0
O2 A:POP2003 2.1 9.1 0.7
OD2 A:ASP112 2.1 14.0 1.0
O A:HOH3020 2.1 13.7 1.0
CG A:ASP112 3.1 23.6 1.0
P1 A:POP2003 3.2 9.8 0.7
CG A:ASP93 3.2 12.2 1.0
OD1 A:ASP112 3.4 19.6 1.0
P2 A:POP2003 3.4 8.6 0.7
O A:POP2003 3.5 9.7 0.7
OD2 A:ASP93 3.5 19.1 1.0
O3 A:POP2003 3.6 10.0 0.7
N A:GLY109 3.9 10.9 1.0
NZ A:LYS61 3.9 16.0 1.0
O A:HOH3098 4.0 20.3 1.0
ND2 A:ASN92 4.0 17.7 1.0
OD1 A:ASN92 4.2 15.5 1.0
O4 A:POP2003 4.3 10.4 0.7
O5 A:POP2003 4.3 10.0 0.7
CA A:GLY109 4.4 11.8 1.0
CB A:ASP112 4.4 15.9 1.0
CB A:ASP93 4.4 15.6 1.0
O1 A:POP2003 4.5 10.1 0.7
CG A:ASN92 4.5 10.2 1.0
C A:ILE108 4.6 8.0 1.0
CA A:ILE108 4.8 8.8 1.0
CA A:ASP93 4.9 13.0 1.0

Magnesium binding site 2 out of 2 in 2tps

Go back to Magnesium Binding Sites List in 2tps
Magnesium binding site 2 out of 2 in the Thiamin Phosphate Synthase


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thiamin Phosphate Synthase within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg2006

b:10.4
occ:0.72
OD1 B:ASP93 1.9 17.3 1.0
O6 B:POP2004 2.0 9.1 0.6
O B:HOH3022 2.0 13.8 1.0
O2 B:POP2004 2.1 10.1 0.6
O B:HOH3057 2.2 18.4 1.0
OD2 B:ASP112 2.2 14.8 1.0
CG B:ASP93 3.0 21.4 1.0
P1 B:POP2004 3.2 11.1 0.6
CG B:ASP112 3.2 21.4 1.0
P2 B:POP2004 3.3 9.3 0.6
OD2 B:ASP93 3.4 29.0 1.0
O B:POP2004 3.4 8.1 0.6
OD1 B:ASP112 3.5 24.0 1.0
O3 B:POP2004 3.6 11.6 0.6
N B:GLY109 3.9 9.4 1.0
ND2 B:ASN92 3.9 23.3 1.0
OD1 B:ASN92 4.1 18.7 1.0
O B:HOH3081 4.1 19.7 1.0
NZ B:LYS61 4.3 36.7 1.0
O5 B:POP2004 4.3 9.2 0.6
CB B:ASP93 4.3 19.0 1.0
O4 B:POP2004 4.3 12.1 0.6
CG B:ASN92 4.4 11.4 1.0
CA B:GLY109 4.4 10.1 1.0
O1 B:POP2004 4.5 12.6 0.6
CB B:ASP112 4.6 15.4 1.0
C B:ILE108 4.6 7.9 1.0
CA B:ILE108 4.8 7.8 1.0
CA B:ASP93 4.8 12.3 1.0

Reference:

H.J.Chiu, J.J.Reddick, T.P.Begley, S.E.Ealick. Crystal Structure of Thiamin Phosphate Synthase From Bacillus Subtilis at 1.25 A Resolution. Biochemistry V. 38 6460 1999.
ISSN: ISSN 0006-2960
PubMed: 10350464
DOI: 10.1021/BI982903Z
Page generated: Mon Dec 14 07:38:43 2020

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