Magnesium in PDB 2tps: Thiamin Phosphate Synthase

All present enzymatic activity of Thiamin Phosphate Synthase:
2.5.1.3;

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

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 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 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

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