Magnesium in PDB 3tp1: Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex

All present enzymatic activity of Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex:
3.6.1.23;

The structure of Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex, PDB code: 3tp1 was solved by O.Barabas, V.Nemeth, B.G.Vertessy, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	60.596, 60.596, 63.862, 90.00, 90.00, 120.00
R / Rfree (%)	16.7 / 19.7

The binding sites of Magnesium atom in the Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex (pdb code 3tp1). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex, PDB code: 3tp1:

Magnesium binding site 1 out of 1 in the Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of the Precatalytic M-Pmv Dutpase - Substrate (Dupnpp) Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg153 b:31.6 occ:1.00 O A:HOH177 1.9 29.0 1.0 O1A A:DUP777 1.9 35.9 1.0 O2G A:DUP777 2.2 40.1 1.0 O1B A:DUP777 2.2 36.7 1.0 O A:HOH176 2.2 34.6 1.0 O A:HOH178 2.2 30.4 1.0 PB A:DUP777 3.2 38.7 1.0 PG A:DUP777 3.2 50.9 1.0 PA A:DUP777 3.3 28.4 1.0 O3B A:DUP777 3.5 47.5 1.0 N3A A:DUP777 3.6 31.4 1.0 O1G A:DUP777 3.7 54.7 1.0 O A:HOH255 3.8 40.0 1.0 O A:HOH160 4.2 21.9 1.0 O A:HOH240 4.2 42.8 1.0 O2A A:DUP777 4.3 26.8 1.0 O5' A:DUP777 4.5 31.4 1.0 O3G A:DUP777 4.5 51.8 1.0 O2B A:DUP777 4.6 30.9 1.0 C5' A:DUP777 4.7 33.9 1.0

O.Barabas, V.Nemeth, A.Bodor, A.Perczel, E.Rosta, Z.Kele, I.Zagyva, Z.Szabadka, V.I.Grolmusz, M.Wilmanns, B.G.Vertessy. Structural Snapshots of Enzyme-Catalysed Phosphate Ester Hydrolysis Directly Visualize in-Line Attack and Inversion To Be Published.