Magnesium in PDB 5vro: Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1

Enzymatic activity of Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1

All present enzymatic activity of Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1:
3.1.3.16;

Protein crystallography data

The structure of Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 5vro was solved by M.-J.Cao, Y.-L.Zhang, X.Liu, H.Huang, X.E.Zhou, W.-L.Wang, A.Zeng, C.-Z.Zhao, T.Si, J.-M.Du, W.-W.Wu, F.-X.Wang, H.X.Xu, J.-K.Zhu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.55 / 2.26
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 61.294, 67.940, 145.899, 90.00, 90.00, 90.00
R / Rfree (%) 20.8 / 24.4

Other elements in 5vro:

The structure of Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1 also contains other interesting chemical elements:

Fluorine (F) 1 atom

Magnesium Binding Sites:

The binding sites of Magnesium atom in the Aba-Mimicking Ligand AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1 (pdb code 5vro). 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 AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1, PDB code: 5vro:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in 5vro

Go back to Magnesium Binding Sites List in 5vro
Magnesium binding site 1 out of 3 in the Aba-Mimicking Ligand AMF1BETA 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 AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg601

b:29.2
occ:1.00
OD2 B:ASP243 2.7 16.2 1.0
OG B:SER347 2.7 23.7 1.0
N B:ASP432 2.8 20.0 1.0
OD1 B:ASP432 3.3 22.1 1.0
OD1 B:ASP346 3.3 28.0 1.0
CB B:ASP243 3.3 21.9 1.0
CG B:ASP432 3.3 22.4 1.0
CG B:ASP243 3.4 17.4 1.0
CA B:SER431 3.5 22.6 1.0
O B:HOH727 3.5 23.9 1.0
CB B:SER431 3.6 23.8 1.0
CB B:ASP432 3.6 26.5 1.0
C B:SER431 3.6 23.9 1.0
N B:SER347 3.6 26.2 1.0
CA B:SER347 3.8 25.0 1.0
CA B:ASP432 3.8 27.1 1.0
CB B:SER347 3.8 25.8 1.0
OD2 B:ASP432 3.8 25.6 1.0
C B:ASP346 4.0 31.7 1.0
MG B:MG603 4.1 36.6 1.0
O B:ASP346 4.1 30.7 1.0
OG1 B:THR328 4.1 20.1 1.0
CG B:ASP346 4.1 29.4 1.0
CG2 B:THR328 4.2 20.8 1.0
OD1 B:ASP243 4.6 15.9 1.0
OD2 B:ASP346 4.7 43.5 1.0
CB B:THR328 4.7 20.9 1.0
OG B:SER431 4.8 21.4 1.0
CA B:ASP243 4.8 22.4 1.0
O B:SER431 4.8 20.3 1.0
C B:ASP432 4.9 29.9 1.0
N B:SER431 4.9 21.0 1.0
CA B:ASP346 5.0 29.6 1.0

Magnesium binding site 2 out of 3 in 5vro

Go back to Magnesium Binding Sites List in 5vro
Magnesium binding site 2 out of 3 in the Aba-Mimicking Ligand AMF1BETA 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 AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg602

b:39.4
occ:1.00
OD1 B:ASP243 2.1 15.9 1.0
O B:GLY244 2.3 22.6 1.0
CG B:ASP243 3.2 17.4 1.0
MG B:MG603 3.4 36.6 1.0
C B:GLY244 3.5 20.7 1.0
OD2 B:ASP243 3.6 16.2 1.0
O B:HOH790 3.9 24.1 1.0
N B:GLY244 4.1 23.4 1.0
O B:HOH726 4.1 23.3 1.0
OD1 B:ASP492 4.2 25.4 1.0
OE1 B:GLU203 4.2 33.0 1.0
C B:ASP243 4.3 20.6 1.0
OD1 B:ASP204 4.3 18.9 1.0
CA B:GLY244 4.4 24.1 1.0
N B:HIS245 4.4 27.4 1.0
CB B:GLU203 4.4 26.7 1.0
CA B:HIS245 4.5 27.8 1.0
CB B:ASP243 4.5 21.9 1.0
NH2 B:ARG199 4.6 40.8 1.0
OD1 B:ASN493 4.6 24.3 1.0
OD2 B:ASP492 4.6 31.4 1.0
CB B:HIS245 4.7 21.5 1.0
O B:ASP243 4.7 25.6 1.0
CA B:ASP243 4.8 22.4 1.0
CG B:ASP492 4.8 26.4 1.0
O B:HOH727 5.0 23.9 1.0

Magnesium binding site 3 out of 3 in 5vro

Go back to Magnesium Binding Sites List in 5vro
Magnesium binding site 3 out of 3 in the Aba-Mimicking Ligand AMF1BETA 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 AMF1BETA in Complex with Aba Receptor PYL2 and PP2C HAB1 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Mg603

b:36.6
occ:1.00
OD2 B:ASP492 2.0 31.4 1.0
OD2 B:ASP243 2.1 16.2 1.0
OD1 B:ASP432 2.2 22.1 1.0
CG B:ASP243 2.9 17.4 1.0
CG B:ASP492 3.1 26.4 1.0
OD1 B:ASP243 3.2 15.9 1.0
CG B:ASP432 3.2 22.4 1.0
MG B:MG602 3.4 39.4 1.0
OD1 B:ASP492 3.4 25.4 1.0
OD2 B:ASP432 3.4 25.6 1.0
O B:HOH727 3.9 23.9 1.0
MG B:MG601 4.1 29.2 1.0
O B:HOH790 4.2 24.1 1.0
CB B:ASP243 4.3 21.9 1.0
CB B:ASP492 4.4 28.7 1.0
N B:GLY433 4.5 26.0 1.0
N B:ASP432 4.6 20.0 1.0
CB B:ASP432 4.6 26.5 1.0
OD1 B:ASP204 4.6 18.9 1.0
O B:ASN493 4.7 18.7 1.0
CB B:SER431 4.9 23.8 1.0
CA B:ASP432 4.9 27.1 1.0
C B:ASP432 4.9 29.9 1.0

Reference:

M.J.Cao, Y.L.Zhang, X.Liu, H.Huang, X.E.Zhou, W.L.Wang, A.Zeng, C.Z.Zhao, T.Si, J.Du, W.W.Wu, F.X.Wang, H.E.Xu, J.K.Zhu. Combining Chemical and Genetic Approaches to Increase Drought Resistance in Plants. Nat Commun V. 8 1183 2017.
ISSN: ESSN 2041-1723
PubMed: 29084945
DOI: 10.1038/S41467-017-01239-3
Page generated: Mon Dec 14 21:18:52 2020

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