Magnesium in PDB 4edh: The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg.

All present enzymatic activity of The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg.:
2.7.4.9;

The structure of The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg., PDB code: 4edh was solved by K.Tan, G.Joachimiak, R.Jedrzejczak, J.Sacchettini, A.Joachimiak, Midwestcenter For Structural Genomics (Mcsg), Structures Of Mtb Proteinsconferring Susceptibility To Known Mtb Inhibitors (Mtbi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.59 / 1.32
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	45.597, 46.807, 53.101, 94.98, 112.33, 105.83
R / Rfree (%)	16.8 / 18.9

The binding sites of Magnesium atom in the The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg. (pdb code 4edh). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg., PDB code: 4edh:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg303 b:16.9 occ:1.00 O1B A:ADP302 2.1 16.6 1.0 O A:HOH603 2.1 20.7 1.0 O A:HOH600 2.2 20.5 1.0 O A:HOH599 2.2 20.5 1.0 OG A:SER17 2.2 19.3 1.0 O A:HOH472 2.2 20.2 1.0 CB A:SER17 3.3 17.9 1.0 PB A:ADP302 3.3 17.1 1.0 O3B A:ADP302 3.6 18.6 1.0 OD1 A:ASP95 3.8 24.8 1.0 O3P A:TMP301 3.8 39.9 1.0 O1A A:ADP302 4.0 19.8 1.0 N A:SER17 4.1 15.8 1.0 CA A:SER17 4.3 15.9 1.0 O1P A:TMP301 4.3 22.0 1.0 O3A A:ADP302 4.3 15.8 1.0 O A:HOH460 4.3 22.0 1.0 OD2 A:ASP95 4.4 17.5 1.0 O2B A:ADP302 4.4 15.8 1.0 CG A:ASP95 4.5 18.0 1.0 O A:HOH589 4.6 45.2 1.0 PA A:ADP302 4.6 17.5 1.0 P A:TMP301 4.6 22.7 1.0 CE A:LYS16 4.7 17.1 1.0 O A:HOH456 4.7 22.3 1.0 O2P A:TMP301 4.7 23.5 1.0 O2A A:ADP302 4.9 18.8 1.0 CB A:LYS16 4.9 17.2 1.0 NZ A:LYS16 5.0 17.5 1.0

Magnesium binding site 2 out of 2 in the The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg303 b:12.6 occ:1.00 O3B B:ADP302 2.1 11.6 1.0 OG B:SER17 2.1 13.5 1.0 O B:HOH621 2.1 15.4 1.0 O B:HOH623 2.2 14.4 1.0 O B:HOH622 2.2 16.1 1.0 O B:HOH624 2.2 15.7 1.0 CB B:SER17 3.2 11.6 1.0 PB B:ADP302 3.3 12.5 1.0 O1B B:ADP302 3.6 13.7 1.0 O2P B:TMP301 3.7 37.0 1.0 OD2 B:ASP95 3.9 16.6 1.0 O2A B:ADP302 4.0 16.0 1.0 N B:SER17 4.0 11.8 1.0 O3P B:TMP301 4.1 20.4 1.0 O1P B:TMP301 4.1 23.1 1.0 CA B:SER17 4.2 12.8 1.0 O B:HOH552 4.2 28.6 1.0 P B:TMP301 4.3 16.5 1.0 O3A B:ADP302 4.3 13.1 1.0 O2B B:ADP302 4.4 13.1 1.0 O B:HOH540 4.4 18.6 1.0 OD1 B:ASP95 4.4 14.4 1.0 PA B:ADP302 4.6 13.2 1.0 CG B:ASP95 4.6 14.0 1.0 O B:HOH416 4.7 20.0 1.0 CE B:LYS16 4.7 19.6 1.0 O1A B:ADP302 4.9 13.6 1.0 O B:HOH414 4.9 33.7 1.0

K.Tan, G.Joachimiak, R.Jedrzejczak, J.Sacchettini, A.Joachimiak. The Crystal Structure of Thymidylate Kinase From Pseudomonas Aeruginosa PAO1 in Complex with Adp,Tmp and Mg. To Be Published.