Sodium in PDB 2ble: Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp

All present enzymatic activity of Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp:
1.7.1.7;

The structure of Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp, PDB code: 2ble was solved by G.Bunkoczi, A.Haroniti, S.Ng, F.Von Delft, U.Oppermann, C.Arrowsmith, M.Sundstrom, A.Edwards, O.Gileadi, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.90
Space group	P 4 21 2
Cell size a, b, c (Å), α, β, γ (°)	117.780, 117.780, 54.420, 90.00, 90.00, 90.00
R / Rfree (%)	17.7 / 22.8

The binding sites of Sodium atom in the Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp (pdb code 2ble). This binding sites where shown within 5.0 Angstroms radius around Sodium atom.
In total 3 binding sites of Sodium where determined in the Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp, PDB code: 2ble:
Jump to Sodium binding site number: 1; 2; 3;

Sodium binding site 1 out of 3 in the Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 1 of Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1345 b:14.7 occ:1.00 O A:HOH2102 3.1 40.7 1.0 N A:GLY247 3.3 10.6 1.0 OG1 A:THR57 3.3 12.8 1.0 CB A:THR57 3.5 17.9 1.0 CA A:SER246 3.7 12.4 1.0 CB A:SER246 3.7 15.8 1.0 CD2 A:PHE266 3.8 11.7 1.0 SG A:CYS251 3.9 11.5 1.0 CB A:CYS251 3.9 19.6 1.0 C A:SER246 4.0 8.2 1.0 O A:LEU265 4.2 19.5 1.0 CB A:PHE266 4.2 16.2 1.0 CG2 A:THR57 4.3 13.7 1.0 CA A:GLY247 4.3 8.0 1.0 CG1 A:VAL58 4.3 20.0 1.0 CG A:PHE266 4.4 4.1 1.0 CA A:PHE266 4.5 14.6 1.0 C A:THR57 4.6 12.3 1.0 CE2 A:PHE266 4.6 13.5 1.0 O A:THR57 4.7 9.1 1.0 CD A:LYS264 4.7 35.0 1.0 CA A:THR57 4.7 13.9 1.0 C A:LEU265 4.8 17.7 1.0 CB A:LYS264 4.8 25.3 1.0 CG1 A:VAL295 4.8 24.7 1.0 OG A:SER246 4.9 15.4 1.0 N A:PHE266 4.9 16.8 1.0

Sodium binding site 2 out of 3 in the Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 2 of Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1346 b:24.2 occ:0.50 NA A:NA1346 0.0 24.2 0.5 NA A:NA1346 2.1 21.9 0.5 O A:SER105 2.7 26.8 1.0 C A:SER105 4.0 24.1 1.0 N A:GLN107 4.3 24.8 1.0 CD1 A:PHE141 4.4 21.2 1.0 C A:GLY106 4.4 22.8 1.0 CA A:GLY106 4.5 21.8 1.0 O A:HOH2017 4.6 30.3 1.0 N A:GLY106 4.7 21.4 1.0 CE1 A:PHE141 4.8 20.8 1.0 O A:HOH2047 4.8 22.3 1.0 CA A:GLN107 4.9 25.2 1.0 CA A:SER105 5.0 23.5 1.0

Sodium binding site 3 out of 3 in the Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp


Mono view


Stereo pair view

A full contact list of Sodium with other atoms in the Na binding site number 3 of Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp within 5.0Å range: probe atom residue distance (Å) B Occ A:Na1346 b:21.9 occ:0.50 NA A:NA1346 0.0 21.9 0.5 NA A:NA1346 2.1 24.2 0.5 CD2 A:LEU144 3.9 14.0 1.0 O A:SER105 4.4 26.8 1.0 CD1 A:PHE141 4.4 21.2 1.0 CD2 A:LEU110 4.8 29.5 1.0 CE1 A:PHE141 4.8 20.8 1.0

G.Bunkoczi, A.Haroniti, S.Ng, F.Von Delft, U.Oppermann, C.Arrowsmith, M.Sundstrom, A.Edwards, O.Gileadi. Structure of Human Guanosine Monophosphate Reductase GMPR1 in Complex with Gmp To Be Published.