Magnesium in PDB 3etc: 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298

The structure of 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298, PDB code: 3etc was solved by M.B.Shah, A.M.Gulick, K.S.Smith, C.Ingram-Smith, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.88 / 2.10
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	91.699, 96.371, 141.543, 90.00, 90.00, 90.00
R / Rfree (%)	17.5 / 20.7

The binding sites of Magnesium atom in the 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298 (pdb code 3etc). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298, PDB code: 3etc:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298 within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg1000 b:47.2 occ:1.00 O A:HOH1196 2.0 36.7 1.0 O B:HOH1415 2.0 40.6 1.0 O A:HOH1193 2.1 46.0 1.0 O A:HOH1194 2.1 47.8 1.0 O A:HOH1195 2.2 55.1 1.0 O B:HOH1414 2.2 48.0 1.0 OD2 A:ASP89 4.0 23.2 1.0 O B:HOH1350 4.1 47.3 1.0 O B:LYS87 4.3 22.7 1.0 OD1 A:ASP89 4.3 22.2 1.0 OD2 B:ASP89 4.3 21.1 1.0 NZ A:LYS137 4.5 33.2 1.0 CG A:ASP89 4.6 21.4 1.0 O B:HOH1419 4.6 37.8 1.0 O A:HOH1199 4.6 42.2 1.0 O A:LYS87 4.6 23.8 1.0 OD1 B:ASP89 4.7 22.4 1.0 CG B:ASP89 4.9 21.3 1.0 CA B:GLY86 4.9 22.8 1.0

Magnesium binding site 2 out of 2 in the 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of 2.1 A Structure of Acyl-Adenylate Synthetase From Methanosarcina Acetivorans Containing A Link Between LYS256 and CYS298 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg1000 b:58.8 occ:1.00 O B:HOH1419 2.2 37.8 1.0 O A:HOH1199 2.2 42.2 1.0 O A:HOH1198 2.3 46.7 1.0 O A:HOH1195 3.9 55.1 1.0 OD2 B:ASP89 4.0 21.1 1.0 O A:GLY88 4.0 21.9 1.0 O A:HOH1164 4.2 33.8 1.0 O B:GLY88 4.2 21.1 1.0 OD2 A:ASP89 4.2 23.2 1.0 O A:HOH1016 4.2 19.9 1.0 O B:HOH1350 4.2 47.3 1.0 O A:HOH1163 4.2 22.6 1.0 O B:HOH1093 4.3 22.3 1.0 O A:HOH1017 4.3 20.4 1.0 O B:HOH1018 4.3 28.2 1.0 O B:HOH1020 4.3 21.2 1.0 O B:HOH1092 4.3 17.1 1.0 C A:GLY88 4.6 22.0 1.0 C B:GLY88 4.7 21.5 1.0 CA B:ASP89 5.0 20.7 1.0

M.B.Shah, C.Ingram-Smith, L.L.Cooper, J.Qu, Y.Meng, K.S.Smith, A.M.Gulick. The 2.1 A Crystal Structure of An Acyl-Coa Synthetase From Methanosarcina Acetivorans Reveals An Alternate Acyl-Binding Pocket For Small Branched Acyl Substrates. Proteins V. 77 685 2009.
ISSN: ISSN 0887-3585
PubMed: 19544569
DOI: 10.1002/PROT.22482