Magnesium in PDB 1wxi: E.Coli Nad Synthetase, Amp.Pp

All present enzymatic activity of E.Coli Nad Synthetase, Amp.Pp:
6.3.1.5;

The structure of E.Coli Nad Synthetase, Amp.Pp, PDB code: 1wxi was solved by R.Jauch, A.Humm, R.Huber, M.C.Wahl, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 1.70
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	92.444, 67.922, 48.394, 90.00, 104.24, 90.00
R / Rfree (%)	17.6 / 20.5

The binding sites of Magnesium atom in the E.Coli Nad Synthetase, Amp.Pp (pdb code 1wxi). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the E.Coli Nad Synthetase, Amp.Pp, PDB code: 1wxi:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the E.Coli Nad Synthetase, Amp.Pp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of E.Coli Nad Synthetase, Amp.Pp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg600 b:48.9 occ:1.00 OD2 A:ASP52 2.4 15.8 1.0 O A:HOH880 2.4 16.4 1.0 OE1 A:GLU165 2.5 25.0 1.0 O1 A:DPO500 2.6 69.7 1.0 O2P A:AMP400 2.6 50.8 1.0 O7 A:DPO500 2.7 70.0 1.0 O4 A:DPO500 3.2 69.9 1.0 P A:AMP400 3.4 51.8 1.0 CG A:ASP52 3.4 15.8 1.0 CD A:GLU165 3.5 25.2 1.0 O A:HOH710 3.5 35.1 1.0 O1P A:AMP400 3.5 50.5 1.0 P2 A:DPO500 3.5 70.9 1.0 P1 A:DPO500 3.5 70.2 1.0 OE2 A:GLU165 3.7 28.0 1.0 CB A:ASP52 3.7 13.7 1.0 O5' A:AMP400 3.8 47.8 1.0 C5' A:AMP400 4.1 43.0 1.0 O A:HOH770 4.3 20.5 1.0 O3' A:AMP400 4.3 35.8 1.0 O2 A:DPO500 4.3 68.8 1.0 OG1 A:THR160 4.4 13.6 1.0 O5 A:DPO500 4.4 70.8 1.0 OD1 A:ASP52 4.5 15.7 1.0 O6 A:DPO500 4.6 70.7 1.0 NZ A:LYS189 4.6 18.2 1.0 O3 A:DPO500 4.7 70.5 1.0 NE2 A:HIS162 4.7 14.6 1.0 C3' A:AMP400 4.8 37.6 1.0 CG A:GLU165 4.8 21.2 1.0 O3P A:AMP400 4.9 51.3 1.0 O A:HOH966 4.9 32.9 1.0 C4' A:AMP400 4.9 39.4 1.0 O A:HOH892 4.9 35.4 1.0 MG A:MG700 5.0 69.6 1.0

Magnesium binding site 2 out of 2 in the E.Coli Nad Synthetase, Amp.Pp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of E.Coli Nad Synthetase, Amp.Pp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg700 b:69.6 occ:1.00 O1P A:AMP400 2.6 50.5 1.0 O A:HOH729 2.7 39.6 1.0 O3 A:DPO500 2.8 70.5 1.0 O5 A:DPO500 2.9 70.8 1.0 O A:HOH707 3.2 61.1 1.0 O1 A:DPO500 3.5 69.7 1.0 O A:HOH746 3.6 44.1 1.0 P1 A:DPO500 3.6 70.2 1.0 P2 A:DPO500 4.0 70.9 1.0 P A:AMP400 4.0 51.8 1.0 O4 A:DPO500 4.2 69.9 1.0 O A:HOH744 4.3 51.7 1.0 O A:HOH882 4.4 42.5 1.0 O5' A:AMP400 4.4 47.8 1.0 O7 A:DPO500 4.4 70.0 1.0 O A:HOH881 4.4 38.4 1.0 OG A:SER48 4.5 21.5 1.0 O A:HOH900 4.5 46.7 1.0 O A:HOH710 4.7 35.1 1.0 O3P A:AMP400 4.8 51.3 1.0 MG A:MG600 5.0 48.9 1.0

R.Jauch, A.Humm, R.Huber, M.C.Wahl. Structures of Escherichia Coli Nad Synthetase with Substrates and Products Reveal Mechanistic Rearrangements J.Biol.Chem. V. 280 15131 2005.
ISSN: ISSN 0021-9258
PubMed: 15699042
DOI: 10.1074/JBC.M413195200