Magnesium in PDB 4q5h: Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate

All present enzymatic activity of Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate:
6.3.2.19;

The structure of Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate, PDB code: 4q5h was solved by M.Cygler, A.M.Grishin, Montreal-Kingston Bacterial Structural Genomicsinitiative (Bsgi), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.94 / 2.00
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	67.416, 84.658, 85.873, 90.00, 90.00, 90.00
R / Rfree (%)	19 / 22.8

The binding sites of Magnesium atom in the Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate (pdb code 4q5h). 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 Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate, PDB code: 4q5h:

Magnesium binding site 1 out of 1 in the Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Shigella Effector Kinase Ospg Bound to Amppnp and E2-Ub UBCH7-Ub Conjugate within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg201 b:49.4 occ:1.00 O A:HOH397 1.9 42.7 1.0 O A:HOH378 2.1 38.6 1.0 O A:HOH398 2.3 34.1 1.0 OD2 A:ASP157 2.3 62.7 1.0 O A:HOH377 2.3 38.5 1.0 O A:HOH396 2.3 36.7 1.0 OD1 A:ASP157 2.5 64.7 1.0 CG A:ASP157 2.7 52.1 1.0 O A:HOH420 3.9 72.4 1.0 NZ A:LYS53 4.0 31.0 1.0 CB A:ASP157 4.2 37.7 1.0 OD2 A:ASP138 4.2 30.7 0.3 O2B A:ANP202 4.2 44.5 1.0 O A:ASP157 4.2 28.0 1.0 O A:HOH399 4.3 53.4 1.0 O3G A:ANP202 4.4 58.3 1.0 O A:PHE158 4.6 27.8 1.0 CG2 A:THR38 4.6 46.6 0.5 C A:ASP157 4.6 29.7 1.0 OG1 A:THR38 4.7 46.9 0.5 OE1 A:GLU72 4.8 33.0 1.0 OD2 A:ASP138 4.8 47.9 0.7 CA A:ASP157 4.8 29.1 1.0 CE A:LYS53 5.0 29.7 1.0 O A:HOH409 5.0 65.3 1.0

A.M.Grishin, T.E.Condos, K.R.Barber, F.X.Campbell-Valois, C.Parsot, G.S.Shaw, M.Cygler. Structural Basis For the Inhibition of Host Protein Ubiquitination By Shigella Effector Kinase Ospg. Structure V. 22 878 2014.
ISSN: ISSN 0969-2126
PubMed: 24856362
DOI: 10.1016/J.STR.2014.04.010