Magnesium in PDB 6sku: Legionella Effector Ankx in Complex with Human RAB1B

The structure of Legionella Effector Ankx in Complex with Human RAB1B, PDB code: 6sku was solved by S.Ernst, F.Ecker, M.Kaspers, P.Ochtrop, C.Hedberg, M.Groll, A.Itzen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 3.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	171.350, 68.470, 137.370, 90.00, 98.93, 90.00
R / Rfree (%)	24.7 / 28.8

The binding sites of Magnesium atom in the Legionella Effector Ankx in Complex with Human RAB1B (pdb code 6sku). 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 Legionella Effector Ankx in Complex with Human RAB1B, PDB code: 6sku:

Magnesium binding site 1 out of 1 in the Legionella Effector Ankx in Complex with Human RAB1B


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Legionella Effector Ankx in Complex with Human RAB1B within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg202 b:0.3 occ:1.00 OG B:SER21 2.4 97.5 1.0 OD2 B:ASP62 2.8 1.0 1.0 O2B B:GDP201 2.9 0.6 1.0 OD1 B:ASP62 3.4 0.8 1.0 O B:THR63 3.4 0.3 1.0 CG B:ASP62 3.5 0.1 1.0 CB B:SER21 3.8 98.4 1.0 PB B:GDP201 4.1 99.6 1.0 O3B B:GDP201 4.3 0.0 1.0 N B:SER21 4.5 97.7 1.0 C B:THR63 4.6 0.4 1.0 CA B:SER21 4.6 98.7 1.0 CE B:LYS20 4.7 0.0 1.0 O2A B:GDP201 4.8 96.9 1.0 NZ B:LYS20 4.9 1.0 1.0 CB B:ASP62 4.9 0.1 1.0 O1B B:GDP201 4.9 99.4 1.0

S.Ernst, F.Ecker, M.S.Kaspers, P.Ochtrop, C.Hedberg, M.Groll, A.Itzen. Legionellaeffector Ankx Displaces the Switch II Region For RAB1B Phosphocholination. Sci Adv V. 6 Z8041 2020.
ISSN: ESSN 2375-2548
PubMed: 32440549
DOI: 10.1126/SCIADV.AAZ8041