Magnesium in PDB 6uec: Pseudomonas Aeruginosa Lpxd Complex Structure with Ligand

The structure of Pseudomonas Aeruginosa Lpxd Complex Structure with Ligand, PDB code: 6uec was solved by Y.Chen, K.Kroeck, M.Sacco, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	32.99 / 2.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	104.764, 104.764, 95.967, 90.00, 90.00, 120.00
R / Rfree (%)	20.9 / 28.9

The binding sites of Magnesium atom in the Pseudomonas Aeruginosa Lpxd Complex Structure with Ligand (pdb code 6uec). 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 Pseudomonas Aeruginosa Lpxd Complex Structure with Ligand, PDB code: 6uec:

Magnesium binding site 1 out of 1 in the Pseudomonas Aeruginosa Lpxd Complex Structure with Ligand


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Pseudomonas Aeruginosa Lpxd Complex Structure with Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:25.2 occ:0.33 O A:HOH504 1.9 26.0 1.0 O A:HOH510 2.0 24.8 1.0 O A:CYS255 4.2 33.2 1.0 O A:HOH503 4.5 24.2 1.0 CB A:CYS255 4.5 35.6 1.0 S A:DMS402 4.5 64.1 1.0 O A:DMS402 4.6 60.4 1.0 O A:HOH505 4.6 51.0 1.0

K.G.Kroeck, M.D.Sacco, E.W.Smith, X.Zhang, D.Shoun, A.Akhtar, S.E.Darch, F.Cohen, L.D.Andrews, J.E.Knox, Y.Chen. Discovery of Dual-Activity Small-Molecule Ligands of Pseudomonas Aeruginosa Lpxa and Lpxd Using Spr and X-Ray Crystallography. Sci Rep V. 9 15450 2019.
ISSN: ESSN 2045-2322
PubMed: 31664082
DOI: 10.1038/S41598-019-51844-Z