Magnesium in PDB 2orw: Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A

All present enzymatic activity of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A:
2.7.1.21;

The structure of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A, PDB code: 2orw was solved by D.Segura-Pena, S.Lutz, C.Monnerjahn, M.Konrad, A.Lavie, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	28.00 / 1.50
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	102.550, 59.630, 61.440, 90.00, 103.11, 90.00
R / Rfree (%)	16.9 / 20.8

The structure of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Magnesium atom in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A (pdb code 2orw). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A, PDB code: 2orw:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg501 b:16.1 occ:1.00 O2D B:4TA801 1.9 13.2 1.0 O2B B:4TA801 2.1 13.1 1.0 O B:HOH983 2.1 14.9 1.0 OG1 A:THR17 2.1 12.4 1.0 O B:HOH911 2.1 16.5 1.0 O A:HOH643 2.2 14.7 1.0 CB A:THR17 3.3 11.5 1.0 OBC B:4TA801 3.4 19.9 1.0 PB B:4TA801 3.4 14.2 1.0 PD B:4TA801 3.4 14.2 1.0 O B:HOH807 3.9 11.8 1.0 OD2 A:ASP83 3.9 18.9 1.0 N A:THR17 4.0 11.6 1.0 OD1 A:ASP83 4.0 14.6 1.0 O2A B:4TA801 4.1 19.3 1.0 CA A:THR17 4.1 12.0 1.0 O A:HOH569 4.2 30.4 1.0 OCD B:4TA801 4.2 15.9 1.0 PC B:4TA801 4.2 16.2 1.0 O1C B:4TA801 4.2 22.8 1.0 O B:HOH810 4.3 15.5 1.0 O1D B:4TA801 4.3 20.0 1.0 CG2 A:THR17 4.3 14.5 1.0 OE2 A:GLU84 4.3 20.4 1.0 O A:HOH555 4.4 32.9 1.0 CG A:ASP83 4.4 15.8 1.0 O1B B:4TA801 4.5 16.2 1.0 OAB B:4TA801 4.5 14.2 1.0 O5' B:4TA801 4.5 13.4 1.0 CD A:GLU84 4.7 23.0 1.0 PA B:4TA801 4.8 15.8 1.0 CB A:LYS16 5.0 12.2 1.0 OE1 A:GLU84 5.0 22.7 1.0

Magnesium binding site 2 out of 2 in the Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Thermotoga Maritima Thymidine Kinase 1 Like Enzyme in Complex with TP4A within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg502 b:21.3 occ:1.00 O B:HOH992 1.9 26.0 1.0 O2D B:4TA802 2.0 18.8 1.0 O B:HOH984 2.1 22.5 1.0 OG1 B:THR17 2.1 14.7 1.0 O2B B:4TA802 2.1 15.5 1.0 O B:HOH834 2.4 18.9 1.0 O1C B:4TA802 3.2 27.5 1.0 CB B:THR17 3.2 13.7 1.0 PD B:4TA802 3.4 19.1 1.0 PB B:4TA802 3.5 15.9 1.0 OBC B:4TA802 3.7 21.6 1.0 OD2 B:ASP83 3.8 24.8 1.0 O B:HOH915 4.0 38.6 1.0 PC B:4TA802 4.0 21.8 1.0 N B:THR17 4.0 12.7 1.0 O2A B:4TA802 4.0 23.0 1.0 O B:HOH827 4.0 20.4 1.0 OD1 B:ASP83 4.1 16.9 1.0 OCD B:4TA802 4.1 20.4 1.0 CA B:THR17 4.2 12.4 1.0 CG2 B:THR17 4.3 15.5 1.0 OE2 B:GLU84 4.3 29.1 1.0 O1D B:4TA802 4.3 19.2 1.0 O B:HOH838 4.3 19.8 1.0 CG B:ASP83 4.4 18.5 1.0 O5' B:4TA802 4.5 17.1 1.0 OAB B:4TA802 4.5 18.0 1.0 O1B B:4TA802 4.6 17.9 1.0 CD B:GLU84 4.6 28.2 1.0 PA B:4TA802 4.8 17.5 1.0

D.Segura-Pena, S.Lutz, C.Monnerjahn, M.Konrad, A.Lavie. Binding of Atp to TK1-Like Enzymes Is Associated with A Conformational Change in the Quaternary Structure. J.Mol.Biol. V. 369 129 2007.
ISSN: ISSN 0022-2836
PubMed: 17407781
DOI: 10.1016/J.JMB.2007.02.104