Magnesium in PDB 2h7x: Pikromycin Thioesterase Adduct with Reduced Triketide Affinity Label

The structure of Pikromycin Thioesterase Adduct with Reduced Triketide Affinity Label, PDB code: 2h7x was solved by J.W.Giraldes, D.L.Akey, J.D.Kittendorf, D.H.Sherman, J.S.Smith, R.A.Fecik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	83.33 / 1.85
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.898, 130.728, 56.484, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 23.2

The binding sites of Magnesium atom in the Pikromycin Thioesterase Adduct with Reduced Triketide Affinity Label (pdb code 2h7x). 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 Pikromycin Thioesterase Adduct with Reduced Triketide Affinity Label, PDB code: 2h7x:

Magnesium binding site 1 out of 1 in the Pikromycin Thioesterase Adduct with Reduced Triketide Affinity Label


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pikromycin Thioesterase Adduct with Reduced Triketide Affinity Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg507 b:43.5 occ:0.50 OD1 A:ASP256 2.7 26.7 1.0 O A:HOH581 2.9 36.9 1.0 NE2 A:HIS254 3.4 28.0 1.0 CA A:ASP256 3.6 25.8 1.0 CG A:ASP256 3.7 29.2 1.0 CE1 A:HIS254 3.9 25.3 1.0 CB A:ASP256 4.1 26.4 1.0 N A:LEU257 4.1 26.9 1.0 C A:ASP256 4.4 27.5 1.0 O A:HOH660 4.4 47.0 1.0 O A:TRP255 4.4 24.1 1.0 N A:ASP256 4.6 22.8 1.0 CD2 A:HIS254 4.7 25.0 1.0 OD2 A:ASP256 4.8 33.7 1.0 C A:TRP255 4.9 21.8 1.0

J.W.Giraldes, D.L.Akey, J.D.Kittendorf, D.H.Sherman, J.S.Smith, R.A.Fecik. Structural and Mechanistic Insights of Polyketide Macrolactonization From Polyketide-Based Affinity Labels Nat.Chem.Biol. V. 2 531 2006.
ISSN: ISSN 1552-4450
PubMed: 16969373
DOI: 10.1038/NCHEMBIO822