Manganese in PDB 3r5u: The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase

The structure of The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase, PDB code: 3r5u was solved by R.C.Hughes, L.Coates, E.J.Meehan, J.M.Garcia-Ruiz, J.D.Ng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.71 / 1.92
Space group	H 3 2
Cell size a, b, c (Å), α, β, γ (°)	114.514, 114.514, 148.438, 90.00, 90.00, 120.00
R / Rfree (%)	15 / 19.6

The binding sites of Manganese atom in the The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase (pdb code 3r5u). This binding sites where shown within 5.0 Angstroms radius around Manganese atom.
In total 2 binding sites of Manganese where determined in the The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase, PDB code: 3r5u:
Jump to Manganese binding site number: 1; 2;

Manganese binding site 1 out of 2 in the The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 1 of The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase within 5.0Å range: probe atom residue distance (Å) B Occ A:Mn432 b:20.8 occ:0.80 O A:HOH235 2.0 14.1 0.5 OD1 A:ASP103 2.1 13.1 0.9 O A:HOH225 2.2 11.7 1.0 O A:HOH235 2.2 15.3 0.5 OD2 A:ASP71 2.2 13.6 0.5 OD2 A:ASP66 2.2 22.2 1.0 O A:HOH263 2.2 15.3 0.8 OD1 A:ASP71 2.3 14.1 0.5 CG A:ASP71 3.0 12.2 0.5 OD2 A:ASP71 3.0 14.3 0.5 CG A:ASP66 3.1 19.7 1.0 CG A:ASP103 3.2 16.5 0.9 CG A:ASP71 3.2 16.1 0.5 OD1 A:ASP66 3.5 16.9 1.0 OD1 A:ASP71 3.7 16.9 0.5 O A:HOH222 3.8 29.4 1.0 OD2 A:ASP103 3.9 26.7 0.9 CA A:ASP103 4.1 14.1 0.9 NZ A:LYS105 4.2 18.3 1.0 CB A:ASP103 4.2 14.1 0.9 O A:PRO69 4.3 9.0 1.0 CB A:ASP71 4.3 9.7 0.5 C A:ASP103 4.4 7.8 0.9 CB A:ASP71 4.4 9.6 0.5 O A:TRP104 4.4 7.8 1.0 CB A:ASP66 4.4 15.7 1.0 CB A:ASP68 4.4 14.8 1.0 O A:HOH259 4.5 26.0 1.0 O A:ASP103 4.5 12.8 0.9 OD2 A:ASP68 4.5 27.8 1.0 N A:ASP71 4.6 6.3 1.0 CD2 A:TYR64 4.7 10.2 1.0

Manganese binding site 2 out of 2 in the The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase


Mono view


Stereo pair view

A full contact list of Manganese with other atoms in the Mn binding site number 2 of The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase within 5.0Å range: probe atom residue distance (Å) B Occ B:Mn433 b:19.1 occ:1.00 OD1 B:ASP71 2.1 20.0 1.0 OD1 B:ASP103 2.2 22.8 1.0 O B:HOH226 2.2 17.6 1.0 O B:HOH236 2.2 14.3 1.0 OD2 B:ASP66 2.2 20.3 1.0 O B:HOH264 2.2 18.3 1.0 CG B:ASP71 3.0 15.6 1.0 CG B:ASP66 3.2 25.1 1.0 OD2 B:ASP71 3.3 25.4 1.0 CG B:ASP103 3.4 24.5 1.0 OD1 B:ASP66 3.5 17.5 1.0 O B:HOH387 4.0 36.7 1.0 CA B:ASP103 4.1 27.3 1.0 OD2 B:ASP103 4.2 36.3 1.0 O B:HOH340 4.2 18.6 1.0 O B:PRO69 4.2 11.8 1.0 CB B:ASP103 4.3 23.4 1.0 NZ B:LYS105 4.3 20.5 1.0 O B:TRP104 4.4 11.2 1.0 C B:ASP103 4.4 9.7 1.0 CB B:ASP71 4.4 6.2 1.0 N B:ASP71 4.5 8.1 1.0 CB B:ASP66 4.5 26.6 1.0 CB B:ASP68 4.5 15.8 1.0 OD2 B:ASP68 4.5 36.2 1.0 O B:ASP103 4.6 17.9 1.0 CD2 B:TYR64 4.9 16.8 1.0 N B:TRP104 4.9 12.0 1.0

R.C.Hughes, L.Coates, E.J.Meehan, J.M.Garcia-Ruiz, J.D.Ng. The Structure of Manganese Bound Thermococcus Thioreducens Inorganic Pyrophosphatase To Be Published.