Magnesium in PDB 5uj0: Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3

All present enzymatic activity of Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3:
2.7.1.78; 3.1.3.34;

The structure of Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3, PDB code: 5uj0 was solved by S.Shuman, D.Chatterjee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	88.75 / 2.30
Space group	I 41 2 2
Cell size a, b, c (Å), α, β, γ (°)	99.790, 99.790, 194.150, 90.00, 90.00, 90.00
R / Rfree (%)	18.4 / 22.9

The structure of Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3 also contains other interesting chemical elements:

Fluorine

(F)

6 atoms

The binding sites of Magnesium atom in the Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3 (pdb code 5uj0). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3, PDB code: 5uj0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:40.4 occ:1.00 F1 A:BFD165 2.0 44.2 1.0 O A:HOH520 2.0 41.7 1.0 O A:HOH515 2.0 44.7 1.0 O A:ASP167 2.0 39.9 1.0 OD2 A:BFD165 2.1 41.8 1.0 OD1 A:ASP278 2.2 42.1 1.0 CG A:BFD165 3.1 37.8 1.0 BE A:BFD165 3.1 44.6 1.0 CG A:ASP278 3.2 45.0 1.0 C A:ASP167 3.2 42.4 1.0 OD1 A:BFD165 3.4 41.5 1.0 OD2 A:ASP278 3.5 42.4 1.0 CB A:ASP167 3.9 45.7 1.0 F3 A:BFD165 3.9 38.5 1.0 CA A:ASP167 3.9 39.7 1.0 F2 A:BFD165 4.0 38.9 1.0 OD1 A:ASP277 4.0 45.1 1.0 N A:ASP167 4.1 38.8 1.0 O A:HOH560 4.1 56.3 1.0 CG A:ARG279 4.2 55.8 1.0 N A:GLY168 4.3 44.7 1.0 OG1 A:THR169 4.3 40.5 1.0 CB A:BFD165 4.4 35.3 1.0 CB A:ASP278 4.5 37.4 1.0 CA A:GLY168 4.6 37.8 1.0 N A:ASP278 4.6 40.5 1.0 CG A:ASP277 4.8 46.8 1.0 N A:THR169 4.8 37.5 1.0 C A:VAL166 4.9 39.9 1.0 NZ A:LYS258 4.9 48.1 1.0 O A:HOH547 4.9 53.5 1.0 N A:ARG279 5.0 48.0 1.0

Magnesium binding site 2 out of 2 in the Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Structure of T4PNKP 3' Phosphatase Covalently Bound to BEF3 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:48.4 occ:1.00 O B:HOH514 2.0 44.6 1.0 O B:HOH523 2.0 44.4 1.0 OD1 B:ASP278 2.0 50.7 1.0 F1 B:BFD165 2.1 47.8 1.0 OD2 B:BFD165 2.2 47.8 1.0 O B:ASP167 2.2 48.5 1.0 CG B:BFD165 2.8 47.1 1.0 BE B:BFD165 3.0 47.8 0.2 CG B:ASP278 3.1 49.6 1.0 OD1 B:BFD165 3.2 48.2 1.0 C B:ASP167 3.4 50.9 1.0 OD2 B:ASP278 3.4 50.2 1.0 F3 B:BFD165 3.8 46.0 1.0 OD1 B:ASP277 3.8 47.8 1.0 N B:ASP167 4.0 51.7 1.0 CA B:ASP167 4.0 52.7 1.0 F2 B:BFD165 4.0 43.5 1.0 OG1 B:THR169 4.1 45.4 1.0 CB B:ASP167 4.1 55.4 1.0 CB B:BFD165 4.1 46.2 1.0 CB B:ASP278 4.4 45.9 1.0 N B:ASP278 4.4 42.4 1.0 N B:GLY168 4.5 51.1 1.0 CG B:ASP277 4.6 47.4 1.0 NZ B:LYS258 4.6 48.1 1.0 N B:ARG279 4.7 48.5 1.0 CA B:GLY168 4.8 54.0 1.0 C B:VAL166 4.8 48.2 1.0 CA B:ASP278 4.8 39.7 1.0 N B:VAL166 4.9 45.1 1.0 N B:THR169 4.9 49.4 1.0 OD2 B:ASP277 4.9 45.8 1.0 CB B:ARG279 5.0 49.0 1.0

S.Shuman, D.Chatterjee. Truncated T4PNK Covalently Bound to BEF3 To Be Published.