Calcium in PDB 3s4y: Crystal Structure of Human Thiamin Pyrophosphokinase 1

All present enzymatic activity of Crystal Structure of Human Thiamin Pyrophosphokinase 1:
2.7.6.2;

The structure of Crystal Structure of Human Thiamin Pyrophosphokinase 1, PDB code: 3s4y was solved by L.Shen, W.Tempel, Y.Tong, Y.Li, J.R.Walker, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, H.Park, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.59 / 1.80
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	93.700, 97.390, 63.650, 90.00, 113.08, 90.00
R / Rfree (%)	17.2 / 20.3

The binding sites of Calcium atom in the Crystal Structure of Human Thiamin Pyrophosphokinase 1 (pdb code 3s4y). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Crystal Structure of Human Thiamin Pyrophosphokinase 1, PDB code: 3s4y:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Crystal Structure of Human Thiamin Pyrophosphokinase 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Human Thiamin Pyrophosphokinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1303 b:29.1 occ:1.00 O2A A:TPP1301 2.0 23.1 0.5 OD2 A:ASP46 2.2 22.6 1.0 OD1 A:ASP73 2.2 29.8 1.0 OD2 A:ASP100 2.3 31.3 1.0 OD1 A:ASP71 2.3 25.5 1.0 O3 A:SO41302 2.4 25.6 0.5 CG A:ASP46 3.3 20.2 1.0 CG A:ASP71 3.3 26.9 1.0 CG A:ASP100 3.4 25.1 1.0 PA A:TPP1301 3.4 26.7 0.5 CG A:ASP73 3.4 30.1 1.0 S A:SO41302 3.6 24.9 0.5 OD2 A:ASP71 3.7 32.2 1.0 CB A:ASP46 3.7 18.3 1.0 O1B A:TPP1301 3.8 35.3 0.5 OG A:SER74 4.0 25.8 1.0 OD2 A:ASP73 4.1 37.0 1.0 O2 A:SO41302 4.1 25.2 0.5 OD1 A:ASP100 4.1 29.2 1.0 O4 A:SO41302 4.1 19.7 0.5 N A:ASP73 4.1 26.1 1.0 O1A A:TPP1301 4.1 18.7 0.5 O7 A:TPP1301 4.2 28.1 0.5 O3A A:TPP1301 4.3 28.9 0.5 O3B A:TPP1301 4.3 31.1 0.5 PB A:TPP1301 4.3 33.0 0.5 CB A:ASP100 4.3 22.2 1.0 N A:SER74 4.4 24.0 1.0 OD1 A:ASP46 4.4 21.0 1.0 N A:ASP71 4.4 23.7 1.0 CB A:ASP73 4.5 29.0 1.0 N A:PHE72 4.5 23.5 1.0 O A:HOH369 4.6 35.2 1.0 CB A:SER74 4.6 21.8 1.0 CB A:ASP71 4.6 26.6 1.0 CA A:ASP73 4.7 27.5 1.0 O1 A:SO41302 4.7 24.5 0.5 CA A:ASP71 4.9 25.4 1.0 C A:ASP73 4.9 25.8 1.0 C A:ASP71 4.9 24.9 1.0

Calcium binding site 2 out of 2 in the Crystal Structure of Human Thiamin Pyrophosphokinase 1


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Human Thiamin Pyrophosphokinase 1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca1303 b:33.9 occ:1.00 O2A B:TPP1301 2.0 25.1 0.5 OD2 B:ASP100 2.2 33.5 1.0 OD2 B:ASP46 2.3 25.1 1.0 OD1 B:ASP71 2.3 28.1 1.0 O3 B:SO41302 2.3 30.6 0.5 OD1 B:ASP73 2.5 37.8 1.0 CG B:ASP71 3.3 31.0 1.0 CG B:ASP46 3.3 22.4 1.0 CG B:ASP100 3.4 26.5 1.0 PA B:TPP1301 3.5 25.5 0.5 CG B:ASP73 3.6 34.9 1.0 OD2 B:ASP71 3.6 35.4 1.0 O1B B:TPP1301 3.6 30.5 0.5 S B:SO41302 3.7 29.9 0.5 CB B:ASP46 3.7 19.9 1.0 OD1 B:ASP100 4.0 29.8 1.0 OD2 B:ASP73 4.1 40.8 1.0 O4 B:SO41302 4.1 27.5 0.5 N B:ASP73 4.2 31.6 1.0 OG B:SER74 4.2 31.2 1.0 O2 B:SO41302 4.3 28.5 0.5 O1A B:TPP1301 4.3 16.8 0.5 O3A B:TPP1301 4.3 25.1 0.5 O7 B:TPP1301 4.3 26.6 0.5 PB B:TPP1301 4.4 28.4 0.5 N B:SER74 4.4 29.9 1.0 N B:PHE72 4.4 29.6 1.0 O B:HOH362 4.4 35.4 1.0 OD1 B:ASP46 4.4 23.1 1.0 N B:ASP71 4.4 27.8 1.0 CB B:ASP100 4.5 22.8 1.0 CB B:ASP71 4.6 30.4 1.0 CB B:SER74 4.6 27.9 1.0 O3B B:TPP1301 4.6 25.7 0.5 O1 B:SO41302 4.6 30.3 0.5 CB B:ASP73 4.7 34.2 1.0 CA B:ASP73 4.7 33.1 1.0 CA B:ASP71 4.8 30.0 1.0 C B:ASP71 4.9 30.2 1.0 C B:ASP73 4.9 31.6 1.0

L.Shen, W.Tempel, Y.Tong, Y.Li, J.R.Walker, C.H.Arrowsmith, A.M.Edwards, C.Bountra, J.Weigelt, H.Park. Crystal Structure of Human Thiamin Pyrophosphokinase 1 To Be Published.