Magnesium in PDB 4lg5: Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1

All present enzymatic activity of Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1:
3.1.3.16;

The structure of Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 4lg5 was solved by X.E.Zhou, M.Gao, X.Liu, Y.Zhang, X.Xue, K.Melcher, P.Gao, F.Wang, L.Zeng, Y.Zhao, Y.Zhao, P.Deng, D.Zhong, J.-K.Zhu, Y.Xu, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.88
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.834, 65.904, 146.231, 90.00, 90.00, 90.00
R / Rfree (%)	25.8 / 29.5

The binding sites of Magnesium atom in the Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1 (pdb code 4lg5). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 4lg5:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 1 of Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg601 b:3.0 occ:1.00 OD1 B:ASP432 2.2 37.2 1.0 OD2 B:ASP243 2.4 35.8 1.0 O B:HOH704 2.7 14.1 1.0 OD2 B:ASP432 2.7 39.1 1.0 CG B:ASP432 2.8 37.9 1.0 OD1 B:ASP492 3.0 46.6 1.0 MG B:MG603 3.1 16.1 1.0 CG B:ASP243 3.2 38.5 1.0 OD1 B:ASP243 3.4 36.4 1.0 OD2 B:ASP346 3.8 52.1 1.0 MG B:MG602 4.1 17.2 1.0 CG B:ASP492 4.1 44.1 1.0 CB B:ASP432 4.2 38.4 1.0 OD1 B:ASP346 4.4 52.2 1.0 OD2 B:ASP492 4.4 40.4 1.0 CG B:ASP346 4.5 49.7 1.0 CB B:ASP243 4.6 40.1 1.0 N B:GLY433 4.8 38.8 1.0 N B:ASP432 5.0 38.7 1.0

Magnesium binding site 2 out of 3 in the Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 2 of Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg602 b:17.2 occ:1.00 OD1 B:ASP243 2.2 36.4 1.0 MG B:MG603 2.7 16.1 1.0 OD1 B:ASP204 3.1 42.2 1.0 CB B:GLU203 3.2 47.8 1.0 O B:HOH704 3.2 14.1 1.0 CG B:ASP243 3.4 38.5 1.0 OD2 B:ASP492 3.5 40.4 1.0 OD1 B:ASN493 3.6 35.9 1.0 CG B:GLU203 3.9 48.9 1.0 N B:GLY244 3.9 40.1 1.0 OD2 B:ASP243 4.1 35.8 1.0 MG B:MG601 4.1 3.0 1.0 CB B:ASN493 4.1 39.5 1.0 CG B:ASN493 4.2 37.9 1.0 O B:GLY244 4.3 40.1 1.0 OD1 B:ASP492 4.3 46.6 1.0 CG B:ASP204 4.3 43.0 1.0 OE1 B:GLU203 4.4 52.2 1.0 CG B:ASP492 4.4 44.1 1.0 CA B:GLU203 4.4 47.5 1.0 C B:GLU203 4.5 46.4 1.0 N B:ASP204 4.6 45.1 1.0 CB B:ASP243 4.6 40.1 1.0 CD B:GLU203 4.6 51.4 1.0 CA B:GLY244 4.7 40.3 1.0 CA B:ASP243 4.7 39.7 1.0 C B:ASP243 4.7 40.0 1.0 C B:GLY244 4.8 40.7 1.0 N B:GLU203 4.9 48.2 1.0 O B:GLU203 4.9 46.1 1.0 OD2 B:ASP204 5.0 40.9 1.0 N B:ASN493 5.0 41.2 1.0

Magnesium binding site 3 out of 3 in the Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Aba-Mimicking Ligand Quinabactin in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg603 b:16.1 occ:1.00 OD1 B:ASP492 2.4 46.6 1.0 OD2 B:ASP492 2.7 40.4 1.0 MG B:MG602 2.7 17.2 1.0 CG B:ASP492 2.8 44.1 1.0 OD1 B:ASP243 2.8 36.4 1.0 MG B:MG601 3.1 3.0 1.0 OD2 B:ASP243 3.2 35.8 1.0 OD1 B:ASP204 3.3 42.2 1.0 CG B:ASP243 3.3 38.5 1.0 O B:ASN493 3.4 39.0 1.0 OD1 B:ASP432 3.5 37.2 1.0 CB B:ASN493 3.7 39.5 1.0 N B:ASN493 3.9 41.2 1.0 OD2 B:ASP204 4.0 40.9 1.0 C B:ASN493 4.1 39.3 1.0 CG B:ASP204 4.1 43.0 1.0 CA B:ASN493 4.1 39.9 1.0 CB B:ASP492 4.1 44.1 1.0 O B:HOH704 4.2 14.1 1.0 N B:GLY433 4.3 38.8 1.0 OG B:SER431 4.3 40.4 1.0 CB B:SER431 4.5 39.6 1.0 CA B:GLY433 4.6 38.9 1.0 CG B:ASP432 4.6 37.9 1.0 CG B:ASN493 4.6 37.9 1.0 OD1 B:ASN493 4.7 35.9 1.0 CB B:ASP243 4.8 40.1 1.0 C B:ASP492 4.9 43.0 1.0 OD2 B:ASP432 4.9 39.1 1.0

M.Cao, X.Liu, Y.Zhang, X.Xue, X.E.Zhou, K.Melcher, P.Gao, F.Wang, L.Zeng, Y.Zhao, Y.Zhao, P.Deng, D.Zhong, J.K.Zhu, H.E.Xu, Y.Xu. An Aba-Mimicking Ligand That Reduces Water Loss and Promotes Drought Resistance in Plants. Cell Res. V. 23 1043 2013.
ISSN: ISSN 1001-0602
PubMed: 23835477
DOI: 10.1038/CR.2013.95