Magnesium in PDB 6g6z: EG5-Inhibitor Complex

The structure of EG5-Inhibitor Complex, PDB code: 6g6z was solved by S.K.Talapatra, F.Kozielski, C.L.Tham, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.41 / 2.80
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	100.295, 100.295, 185.372, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 28.7

The binding sites of Magnesium atom in the EG5-Inhibitor Complex (pdb code 6g6z). 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 EG5-Inhibitor Complex, PDB code: 6g6z:

Magnesium binding site 1 out of 1 in the EG5-Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of EG5-Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:65.5 occ:1.00 O A:HOH502 1.9 48.6 1.0 O A:HOH504 1.9 52.1 1.0 O A:HOH501 2.0 49.2 1.0 OG1 A:THR112 2.3 60.2 1.0 O3B A:ADP401 2.3 56.5 1.0 O A:HOH515 3.0 59.8 1.0 O1B A:ADP401 3.2 65.1 1.0 PB A:ADP401 3.3 62.0 1.0 CB A:THR112 3.7 54.3 1.0 O1A A:ADP401 4.1 62.0 1.0 O2B A:ADP401 4.4 55.5 1.0 O A:SER232 4.4 87.9 1.0 CG2 A:THR112 4.5 58.2 1.0 O3A A:ADP401 4.5 60.3 1.0 N A:THR112 4.6 56.3 1.0 CA A:THR112 4.7 54.8 1.0 C A:SER232 4.8 95.3 1.0 PA A:ADP401 4.8 61.9 1.0 CE A:LYS111 4.8 53.4 1.0

S.K.Talapatra, C.L.Tham, P.Guglielmi, R.Cirilli, B.Chandrasekaran, R.Karpoormath, S.Carradori, F.Kozielski. Crystal Structure of the EG5 - K858 Complex and Implications For Structure-Based Design of Thiadiazole-Containing Inhibitors. Eur J Med Chem V. 156 641 2018.
ISSN: ISSN 1768-3254
PubMed: 30031975
DOI: 10.1016/J.EJMECH.2018.07.006