Magnesium in PDB 5tu4: Pagf with Boc-Tyr and Dmspp

The structure of Pagf with Boc-Tyr and Dmspp, PDB code: 5tu4 was solved by Y.Hao, S.K.Nair, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.12 / 2.10
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	116.442, 116.442, 43.682, 90.00, 90.00, 120.00
R / Rfree (%)	18.4 / 23

The binding sites of Magnesium atom in the Pagf with Boc-Tyr and Dmspp (pdb code 5tu4). 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 Pagf with Boc-Tyr and Dmspp, PDB code: 5tu4:

Magnesium binding site 1 out of 1 in the Pagf with Boc-Tyr and Dmspp


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pagf with Boc-Tyr and Dmspp within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:52.9 occ:1.00 O6 A:DST401 2.4 43.1 1.0 O8 A:DST401 2.8 48.0 1.0 O A:HOH513 2.9 38.0 1.0 O5 A:DST401 3.0 52.1 1.0 P1 A:DST401 3.2 55.7 1.0 OH A:TYR186 3.8 30.7 1.0 O A:HOH516 4.0 27.8 1.0 O A:HOH625 4.0 36.0 1.0 P3 A:DST401 4.1 36.6 1.0 O A:HOH531 4.2 27.3 1.0 O A:HOH677 4.2 38.5 1.0 OH A:TYR235 4.2 29.3 1.0 O2 A:DST401 4.2 41.2 1.0 OD2 A:ASP174 4.3 29.5 1.0 O4 A:DST401 4.4 53.1 1.0 O A:HOH501 4.9 43.8 1.0

Y.Hao, E.Pierce, D.Roe, M.Morita, J.A.Mcintosh, V.Agarwal, T.E.Cheatham, E.W.Schmidt, S.K.Nair. Molecular Basis For the Broad Substrate Selectivity of A Peptide Prenyltransferase. Proc. Natl. Acad. Sci. V. 113 14037 2016U.S.A..
ISSN: ESSN 1091-6490
PubMed: 27872314
DOI: 10.1073/PNAS.1609869113