Magnesium in PDB 2hfj: Pikromycin Thioesterase with Covalent Pentaketide Affinity Label

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

Resolution Low / High (Å)	50.00 / 1.95
Space group	P 21 21 2
Cell size a, b, c (Å), α, β, γ (°)	107.686, 131.063, 56.864, 90.00, 90.00, 90.00
R / Rfree (%)	20 / 24

The binding sites of Magnesium atom in the Pikromycin Thioesterase with Covalent Pentaketide Affinity Label (pdb code 2hfj). 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 with Covalent Pentaketide Affinity Label, PDB code: 2hfj:

Magnesium binding site 1 out of 1 in the Pikromycin Thioesterase with Covalent Pentaketide 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 with Covalent Pentaketide Affinity Label within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg509 b:36.5 occ:0.50 OD1 A:ASP256 2.5 29.7 1.0 O A:HOH561 2.5 40.6 1.0 CA A:ASP256 3.5 27.8 1.0 CG A:ASP256 3.6 32.3 1.0 NE2 A:HIS254 3.7 29.9 1.0 N A:LEU257 3.8 30.4 1.0 CB A:ASP256 4.0 28.8 1.0 CE1 A:HIS254 4.2 24.5 1.0 O A:HOH562 4.2 46.4 1.0 C A:ASP256 4.2 29.7 1.0 O A:TRP255 4.4 25.1 1.0 N A:ASP256 4.6 25.3 1.0 OD2 A:ASP256 4.6 35.6 1.0 CG A:LEU257 4.8 35.3 1.0 C A:TRP255 4.9 22.0 1.0 CD2 A:HIS254 4.9 26.8 1.0 CA A:LEU257 4.9 34.3 1.0

D.L.Akey, J.D.Kittendorf, J.W.Giraldes, R.A.Fecik, D.H.Sherman, J.L.Smith. Structural Basis For Macrolactonization By the Pikromycin Thioesterase Nat.Chem.Biol. V. 2 537 2006.
ISSN: ISSN 1552-4450
PubMed: 16969372
DOI: 10.1038/NCHEMBIO824