Magnesium in PDB 4l39: Crystal Structure of GH3.12 From Arabidopsis Thaliana in Complex with Ampcpp and Salicylate

The structure of Crystal Structure of GH3.12 From Arabidopsis Thaliana in Complex with Ampcpp and Salicylate, PDB code: 4l39 was solved by C.Zubieta, J.M.Jez, E.Brown, R.Marcellin, U.Kapp, A.Round, C.Westfall, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	58.00 / 2.81
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.360, 114.088, 157.976, 90.00, 90.00, 90.00
R / Rfree (%)	19.8 / 26.7

The binding sites of Magnesium atom in the Crystal Structure of GH3.12 From Arabidopsis Thaliana in Complex with Ampcpp and Salicylate (pdb code 4l39). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total only one binding site of Magnesium was determined in the Crystal Structure of GH3.12 From Arabidopsis Thaliana in Complex with Ampcpp and Salicylate, PDB code: 4l39:

Magnesium binding site 1 out of 1 in the Crystal Structure of GH3.12 From Arabidopsis Thaliana in Complex with Ampcpp and Salicylate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of GH3.12 From Arabidopsis Thaliana in Complex with Ampcpp and Salicylate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg601 b:44.8 occ:1.00 O2G A:APC603 2.4 71.2 1.0 O A:VAL396 2.9 39.1 1.0 OE2 A:GLU329 3.7 40.3 1.0 C A:VAL396 3.8 21.1 1.0 PG A:APC603 3.9 78.2 1.0 O A:HOH766 4.0 28.2 1.0 CD A:GLU329 4.1 33.0 1.0 O A:ARG395 4.1 12.2 1.0 OE1 A:GLU329 4.2 27.3 1.0 CA A:VAL396 4.2 16.0 1.0 CE A:MET394 4.6 45.8 1.0 O3B A:APC603 4.6 52.0 1.0 O1G A:APC603 4.7 75.0 1.0 O3G A:APC603 4.7 58.7 1.0 N A:GLY397 4.8 19.0 1.0 CG1 A:VAL396 4.9 31.7 1.0

A.Round, E.Brown, R.Marcellin, U.Kapp, C.S.Westfall, J.M.Jez, C.Zubieta. Determination of the GH3.12 Protein Conformation Through Hplc-Integrated Saxs Measurements Combined with X-Ray Crystallography. Acta Crystallogr.,Sect.D V. 69 2072 2013.
ISSN: ISSN 0907-4449
PubMed: 24100325
DOI: 10.1107/S0907444913019276