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Magnesium in PDB 4lga: Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1

Enzymatic activity of Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1

All present enzymatic activity of Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1:
3.1.3.16;

Protein crystallography data

The structure of Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 4lga 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 / 2.70
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.028, 67.164, 145.348, 90.00, 90.00, 90.00
R / Rfree (%) 24.6 / 28

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1 (pdb code 4lga). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 4lga:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in 4lga

Go back to Magnesium Binding Sites List in 4lga
Magnesium binding site 1 out of 2 in the Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide 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 N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:46.6
occ:1.00
 OD1 B:ASP492 2.5 58.9 1.0
OD2 B:ASP243 2.5 46.8 1.0
OD1 B:ASP432 2.6 54.6 1.0
OD2 B:ASP432 2.8 53.3 1.0
CG B:ASP432 3.0 49.8 1.0
CG B:ASP492 3.2 55.5 1.0
CG B:ASP243 3.3 42.0 1.0
MG B:MG602 3.3 75.0 1.0
OD1 B:ASP243 3.4 48.0 1.0
OD2 B:ASP492 3.8 57.9 1.0
O3 B:SO4604 3.8 70.8 1.0
N B:GLY433 3.9 47.1 1.0
CB B:ASP492 4.1 53.7 1.0
CB B:ASP432 4.3 47.1 1.0
O B:ASN493 4.4 46.7 1.0
C B:ASP432 4.5 46.9 1.0
CA B:GLY433 4.5 47.1 1.0
N B:ASP432 4.5 45.8 1.0
OD1 B:ASP204 4.5 53.4 1.0
CB B:ASP243 4.6 41.1 1.0
CA B:ASP432 4.7 46.8 1.0
CB B:SER431 4.8 43.5 1.0
O B:HOH723 4.9 50.0 1.0

Magnesium binding site 2 out of 2 in 4lga

Go back to Magnesium Binding Sites List in 4lga
Magnesium binding site 2 out of 2 in the Aba-Mimicking Ligand N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide 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 N-(2-Oxo-1-Propyl-1,2,3,4-Tetrahydroquinolin-6- Yl)-1-Phenylmethanesulfonamide in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:75.0
occ:1.00
 OD1 B:ASP243 2.7 48.0 1.0
O B:GLY244 2.8 38.3 1.0
OD2 B:ASP243 3.1 46.8 1.0
CG B:ASP243 3.2 42.0 1.0
MG B:MG601 3.3 46.6 1.0
OD1 B:ASP492 3.4 58.9 1.0
OD1 B:ASP204 3.4 53.4 1.0
O3 B:SO4604 3.6 70.8 1.0
C B:GLY244 4.0 38.1 1.0
OE1 B:GLU203 4.1 55.6 1.0
OD2 B:ASP492 4.1 57.9 1.0
CG B:ASP492 4.2 55.5 1.0
OD1 B:ASN493 4.3 47.9 1.0
N B:GLY244 4.3 39.4 1.0
C B:ASP243 4.5 40.4 1.0
CB B:ASP243 4.5 41.1 1.0
CB B:GLU203 4.6 50.6 1.0
CG B:ASP204 4.7 49.0 1.0
CA B:ASP243 4.7 40.7 1.0
CA B:GLY244 4.7 38.6 1.0
CB B:ASN493 4.8 48.0 1.0
O B:HOH724 4.8 37.9 1.0
S B:SO4604 4.9 69.9 1.0
CG B:ASN493 4.9 47.8 1.0
O B:ASP243 4.9 41.4 1.0
N B:HIS245 5.0 37.6 1.0

Reference:

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
Page generated: Mon Aug 19 17:43:25 2024

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