Magnesium in PDB 4u82: Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fspp and Sulfate

The structure of Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fspp and Sulfate, PDB code: 4u82 was solved by W.Zhu, E.Oldfield, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.33 / 1.66
Space group	P 41 21 2
Cell size a, b, c (Å), α, β, γ (°)	57.079, 57.079, 158.618, 90.00, 90.00, 90.00
R / Rfree (%)	18.7 / 22

The binding sites of Magnesium atom in the Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fspp and Sulfate (pdb code 4u82). 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 Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fspp and Sulfate, PDB code: 4u82:

Magnesium binding site 1 out of 1 in the Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fspp and Sulfate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Structure of S. Aureus Undecaprenyl Diphosphate Synthase in Complex with Fspp and Sulfate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg301 b:15.4 occ:1.00 O2B A:FPS302 2.0 14.8 1.0 O1A A:FPS302 2.0 15.7 1.0 O A:HOH406 2.1 15.9 1.0 O A:HOH435 2.2 16.4 1.0 OD1 A:ASP33 2.2 14.4 1.0 CG A:ASP33 3.2 15.8 1.0 PA A:FPS302 3.3 16.1 1.0 PB A:FPS302 3.3 15.5 1.0 OD2 A:ASP33 3.4 14.7 1.0 O3A A:FPS302 3.5 15.0 1.0 NH2 A:ARG37 3.9 16.1 1.0 O3 A:SO4303 4.0 17.6 1.0 O A:HOH408 4.0 22.3 1.0 O1B A:FPS302 4.0 18.4 1.0 NH2 A:ARG84 4.1 17.4 1.0 O A:HOH416 4.3 16.4 1.0 O3B A:FPS302 4.4 15.0 1.0 S1 A:FPS302 4.4 16.5 1.0 CB A:ASP33 4.5 13.6 1.0 O2A A:FPS302 4.5 17.9 1.0 C1 A:FPS302 4.5 23.6 1.0 N A:GLY34 4.5 14.0 1.0 O1 A:SO4303 4.6 18.0 1.0 NH2 A:ARG201 4.7 13.4 1.0 O A:HOH480 4.8 34.9 1.0 CA A:ASP33 4.8 13.8 1.0 S A:SO4303 4.9 15.3 1.0 CZ A:ARG37 5.0 14.4 1.0

W.Zhu, Y.Wang, K.Li, J.Gao, C.H.Huang, C.C.Chen, T.P.Ko, Y.Zhang, R.T.Guo, E.Oldfield. Antibacterial Drug Leads: Dna and Enzyme Multitargeting. J.Med.Chem. 2015.
ISSN: ISSN 0022-2623
PubMed: 25574764
DOI: 10.1021/JM501449U