Magnesium in PDB 3ujg: Crystal Structure of SNRK2.6 in Complex with HAB1

All present enzymatic activity of Crystal Structure of SNRK2.6 in Complex with HAB1:
2.7.11.1; 3.1.3.16;

The structure of Crystal Structure of SNRK2.6 in Complex with HAB1, PDB code: 3ujg was solved by X.E.Zhou, F.-F.Soon, L.-M.Ng, A.Kovach, M.H.E.Tan, K.M.Suino-Powell, Y.He, Y.Xu, J.S.Brunzelle, J.Li, K.Melcher, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.78 / 2.60
Space group	I 4
Cell size a, b, c (Å), α, β, γ (°)	154.835, 154.835, 70.966, 90.00, 90.00, 90.00
R / Rfree (%)	20.7 / 23.8

The binding sites of Magnesium atom in the Crystal Structure of SNRK2.6 in Complex with HAB1 (pdb code 3ujg). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of SNRK2.6 in Complex with HAB1, PDB code: 3ujg:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of SNRK2.6 in Complex with HAB1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Crystal Structure of SNRK2.6 in Complex with HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg100 b:69.9 occ:1.00 OD1 B:ASP243 2.3 23.8 1.0 O B:GLY244 2.7 33.9 1.0 OD1 B:ASP204 3.2 41.7 1.0 CG B:ASP243 3.3 28.3 1.0 MG B:MG512 3.4 45.9 1.0 OD1 B:ASN493 3.7 34.9 1.0 N B:GLY244 3.7 33.1 1.0 C B:GLY244 3.8 33.6 1.0 OD2 B:ASP243 3.9 25.4 1.0 CB B:GLU203 4.1 38.7 1.0 C B:GLU203 4.1 37.9 1.0 C B:ASP243 4.1 32.6 1.0 N B:ASP204 4.1 37.8 1.0 OD2 B:ASP492 4.3 34.5 1.0 CG B:ASP204 4.3 39.2 1.0 CA B:GLY244 4.3 33.3 1.0 O B:GLU203 4.3 37.1 1.0 CA B:ASP243 4.4 31.5 1.0 CB B:ASP243 4.4 31.1 1.0 CG B:ASN493 4.4 34.3 1.0 CB B:ASN493 4.5 34.4 1.0 CA B:GLU203 4.5 38.5 1.0 O2 A:SO4364 4.6 42.7 1.0 CA B:ASP204 4.6 37.4 1.0 O B:ASP243 4.6 34.2 1.0 OE1 B:GLU203 4.8 41.8 1.0 N B:GLU203 4.8 38.1 1.0 OD1 B:ASP492 4.9 37.1 1.0 CB B:ASP204 4.9 37.2 1.0 N B:HIS245 5.0 33.8 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of SNRK2.6 in Complex with HAB1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Crystal Structure of SNRK2.6 in Complex with HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg512 b:45.9 occ:1.00 OD1 B:ASP492 2.0 37.1 1.0 OD1 B:ASP432 2.3 37.4 1.0 OD2 B:ASP243 2.3 25.4 1.0 CG B:ASP492 2.9 36.0 1.0 CG B:ASP243 3.1 28.3 1.0 OD2 B:ASP492 3.1 34.5 1.0 OD1 B:ASP243 3.2 23.8 1.0 CG B:ASP432 3.3 36.5 1.0 MG B:MG100 3.4 69.9 1.0 OD2 B:ASP432 3.6 38.9 1.0 OD1 B:ASP204 3.9 41.7 1.0 CB B:ASP492 4.2 37.4 1.0 O B:ASN493 4.3 34.6 1.0 N B:GLY433 4.4 34.5 1.0 O B:HOH94 4.4 32.6 1.0 O B:HOH7 4.4 32.9 1.0 CB B:ASP243 4.4 31.1 1.0 N B:ASP432 4.7 34.1 1.0 CB B:ASP432 4.7 34.5 1.0 CB B:SER431 4.8 33.1 1.0 CG B:ASP204 4.8 39.2 1.0 CB B:ASN493 4.9 34.4 1.0 N B:ASN493 5.0 35.5 1.0 C B:ASP432 5.0 34.2 1.0

F.F.Soon, L.M.Ng, X.E.Zhou, G.M.West, A.Kovach, M.H.Tan, K.M.Suino-Powell, Y.He, Y.Xu, M.J.Chalmers, J.S.Brunzelle, H.Zhang, H.Yang, H.Jiang, J.Li, E.L.Yong, S.Cutler, J.K.Zhu, P.R.Griffin, K.Melcher, H.E.Xu. Molecular Mimicry Regulates Aba Signaling By SNRK2 Kinases and PP2C Phosphatases. Science V. 335 85 2012.
ISSN: ISSN 0036-8075
PubMed: 22116026
DOI: 10.1126/SCIENCE.1215106