Magnesium in PDB 1ih8: NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions.

All present enzymatic activity of NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions.:
6.3.5.1;

The structure of NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions., PDB code: 1ih8 was solved by Y.Devedjiev, J.Symersky, R.Singh, M.Jedrzejas, C.Brouillette, W.Brouillette, D.Muccio, D.Chattopadhyay, L.Delucas, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.83 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	52.599, 85.411, 60.253, 90.00, 110.88, 90.00
R / Rfree (%)	16.7 / 20.5

The binding sites of Magnesium atom in the NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions. (pdb code 1ih8). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions., PDB code: 1ih8:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg4002 b:7.8 occ:1.00 O2B A:APC3001 1.9 7.9 1.0 O1A A:APC3001 1.9 8.7 1.0 O1G A:APC3001 2.0 12.3 1.0 O A:THR208 2.1 9.5 1.0 O A:HOH2386 2.1 9.7 1.0 O A:HOH2385 2.2 10.9 1.0 PB A:APC3001 3.1 10.7 1.0 PA A:APC3001 3.1 10.9 1.0 PG A:APC3001 3.3 12.1 1.0 C A:THR208 3.3 9.6 1.0 C3A A:APC3001 3.6 9.4 1.0 O3B A:APC3001 3.7 9.3 1.0 O5' A:APC3001 3.9 11.6 1.0 N A:THR208 4.0 10.9 1.0 O3G A:APC3001 4.1 14.1 1.0 OG A:SER46 4.1 9.5 1.0 N A:ALA209 4.2 9.9 1.0 O A:HOH2040 4.2 9.7 1.0 O1B A:APC3001 4.2 7.3 1.0 O2G A:APC3001 4.2 12.0 1.0 CA A:THR208 4.2 10.9 1.0 CA A:ALA209 4.2 9.8 1.0 O2A A:APC3001 4.2 8.7 1.0 O A:HOH2317 4.3 10.1 1.0 O A:HOH2037 4.4 6.5 1.0 CG2 A:THR208 4.5 10.4 1.0 O A:HOH2118 4.5 11.4 1.0 C A:ALA209 4.7 10.6 1.0 CB A:SER46 4.7 10.0 1.0 CA A:GLY48 4.8 9.0 1.0 O A:ALA209 5.0 10.2 1.0 CB A:THR208 5.0 10.1 1.0

Magnesium binding site 2 out of 3 in the NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions. within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg4003 b:11.9 occ:1.00 OE1 A:GLU162 1.9 13.7 1.0 O A:HOH2387 2.1 6.9 1.0 O A:HOH2248 2.1 16.4 1.0 O A:HOH2060 2.1 10.7 1.0 O A:HOH2388 2.1 10.0 1.0 O2A A:APC3001 2.3 8.7 1.0 CD A:GLU162 3.2 14.8 1.0 PA A:APC3001 3.5 10.9 1.0 C3A A:APC3001 3.8 9.4 1.0 OE2 A:GLU162 3.8 13.8 1.0 C5' A:APC3001 3.8 10.9 1.0 OD1 A:ASP173 3.9 14.2 1.0 O A:HOH2128 4.0 11.9 1.0 O A:HOH2118 4.0 11.4 1.0 O A:HOH2057 4.1 9.7 1.0 O5' A:APC3001 4.1 11.6 1.0 OD2 A:ASP50 4.1 8.4 1.0 CG A:GLU162 4.3 16.7 1.0 O A:PHE167 4.3 11.8 1.0 O A:HOH2090 4.4 12.8 1.0 OG1 A:THR157 4.4 8.8 1.0 O1A A:APC3001 4.5 8.7 1.0 CB A:PHE168 4.6 8.8 1.0 CB A:GLU162 4.8 13.7 1.0 O A:HOH2009 4.8 10.1 1.0 CG A:ASP173 4.9 13.0 1.0

Magnesium binding site 3 out of 3 in the NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions.


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of NH3-Dependent Nad+ Synthetase From Bacillus Subtilis Complexed with Amp-Cpp and MG2+ Ions. within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg4004 b:25.7 occ:1.00 O B:HOH2482 1.9 24.6 1.0 O B:HOH2480 2.0 19.6 1.0 O B:HOH2481 2.2 26.5 1.0 O B:HOH2367 2.3 24.9 1.0 OD1 B:ASP1124 2.3 20.6 1.0 O B:HOH2280 2.4 19.7 1.0 CG B:ASP1124 3.4 21.3 1.0 O B:THR1122 3.9 14.8 1.0 OD2 B:ASP1124 3.9 21.6 1.0 O B:HOH2361 4.1 23.6 1.0 O B:HOH2298 4.1 29.8 1.0 O B:GLY1123 4.1 14.4 1.0 C B:GLY1123 4.2 16.7 1.0 N B:ASP1124 4.5 17.8 1.0 CB B:ASP1124 4.6 18.7 1.0 O B:HOH2246 4.7 28.1 1.0 CA B:GLY1123 4.7 17.2 1.0 CA B:ASP1124 4.7 16.8 1.0 C B:THR1122 4.9 14.6 1.0

Y.Devedjiev, J.Symersky, R.Singh, M.Jedrzejas, C.Brouillette, W.Brouillette, D.Muccio, D.Chattopadhyay, L.Delucas. Stabilization of Active-Site Loops in NH3-Dependent Nad+ Synthetase From Bacillus Subtilis. Acta Crystallogr.,Sect.D V. 57 806 2001.
ISSN: ISSN 0907-4449
PubMed: 11375500
DOI: 10.1107/S0907444901003523