Magnesium in PDB 5gwo: Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba

All present enzymatic activity of Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba:
3.1.3.16;

The structure of Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba, PDB code: 5gwo was solved by S.Han, S.Lee, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	37.73 / 2.82
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	46.472, 79.253, 80.288, 81.63, 87.08, 73.98
R / Rfree (%)	18.5 / 24.3

The binding sites of Magnesium atom in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba (pdb code 5gwo). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 5 binding sites of Magnesium where determined in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba, PDB code: 5gwo:
Jump to Magnesium binding site number: 1; 2; 3; 4; 5;

Magnesium binding site 1 out of 5 in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba


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 RCAR3:PP2C S265F/I267M with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg401 b:56.0 occ:1.00 O A:HOH505 2.4 57.4 1.0 OD2 A:ASP306 2.8 52.5 1.0 CB A:ASP306 3.0 41.1 1.0 OD2 A:ASP310 3.1 74.1 1.0 NZ A:LYS239 3.2 91.1 1.0 CG A:ASP306 3.3 47.9 1.0 OD1 A:ASP310 3.4 75.3 1.0 OD2 A:ASP220 3.6 82.0 1.0 CG A:ASP310 3.6 73.1 1.0 O A:HOH507 4.0 32.2 1.0 CG A:ASP220 4.1 76.8 1.0 O A:HOH503 4.3 45.9 1.0 CE A:LYS239 4.3 87.6 1.0 CA A:ASP306 4.4 46.6 1.0 OD1 A:ASP306 4.5 49.8 1.0 CB A:ASP220 4.6 65.5 1.0 OD1 A:ASP220 4.8 79.5 1.0 O A:HOH514 4.8 44.7 1.0

Magnesium binding site 2 out of 5 in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba


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 RCAR3:PP2C S265F/I267M with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg402 b:47.3 occ:1.00 O A:HOH511 2.1 33.1 1.0 O A:HOH516 2.1 68.9 1.0 O A:GLY119 2.2 44.6 1.0 OD1 A:ASP118 2.2 54.1 1.0 O A:HOH518 2.7 30.0 1.0 MG A:MG403 3.1 68.7 1.0 CG A:ASP118 3.2 56.3 1.0 C A:GLY119 3.4 47.8 1.0 OD2 A:ASP118 3.5 59.4 1.0 O A:HOH513 3.6 35.3 1.0 OD1 A:ASP75 4.0 73.3 1.0 OD1 A:ASP368 4.1 72.3 1.0 CB A:HIS120 4.1 44.7 1.0 N A:GLY119 4.2 49.1 1.0 CA A:HIS120 4.2 47.7 1.0 N A:HIS120 4.2 48.7 1.0 OD2 A:ASP368 4.3 70.2 1.0 C A:ASP118 4.3 51.3 1.0 O A:HOH501 4.4 48.4 1.0 CA A:GLY119 4.4 45.0 1.0 CB A:ASP118 4.5 50.9 1.0 O A:HOH503 4.6 45.9 1.0 O A:ASP118 4.6 49.5 1.0 CG A:ASP368 4.7 70.7 1.0 OE1 A:GLU74 4.7 64.5 1.0 CA A:ASP118 4.7 49.9 1.0 OG C:SER100 4.8 47.6 1.0 OD1 A:ASN369 4.8 56.7 1.0 CB C:SER100 4.8 38.8 1.0 CB A:GLU74 4.9 55.6 1.0

Magnesium binding site 3 out of 5 in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 3 of Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg403 b:68.7 occ:1.00 OD2 A:ASP368 1.8 70.2 1.0 OD2 A:ASP118 2.2 59.4 1.0 O A:HOH501 2.3 48.4 1.0 OD1 A:ASP306 2.4 49.8 1.0 CG A:ASP368 2.8 70.7 1.0 CG A:ASP118 3.0 56.3 1.0 OD2 A:ASP306 3.0 52.5 1.0 OD1 A:ASP118 3.1 54.1 1.0 CG A:ASP306 3.1 47.9 1.0 MG A:MG402 3.1 47.3 1.0 OD1 A:ASP368 3.2 72.3 1.0 O A:HOH503 3.4 45.9 1.0 O A:HOH518 3.6 30.0 1.0 O A:HOH514 3.8 44.7 1.0 CB A:ASP368 4.1 68.4 1.0 O A:HOH511 4.2 33.1 1.0 O A:HOH516 4.3 68.9 1.0 CB A:ASP118 4.4 50.9 1.0 O A:HOH510 4.5 50.8 1.0 CB A:ASP306 4.6 41.1 1.0 O A:HOH513 4.6 35.3 1.0 OD1 A:ASP75 4.6 73.3 1.0 N A:GLY307 4.9 49.7 1.0 O A:ASN369 4.9 46.0 1.0 N A:ASP306 4.9 43.8 1.0

Magnesium binding site 4 out of 5 in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 4 of Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg401 b:35.8 occ:1.00 O B:HOH507 2.0 59.5 1.0 OD1 B:ASP118 2.1 60.4 1.0 O B:HOH502 2.3 34.2 1.0 O B:GLY119 2.3 41.9 1.0 O B:HOH509 2.5 34.0 1.0 O B:HOH508 2.9 46.6 1.0 MG B:MG402 2.9 41.2 1.0 CG B:ASP118 3.1 60.3 1.0 O D:HOH405 3.3 28.4 1.0 OD2 B:ASP118 3.5 66.6 1.0 C B:GLY119 3.5 43.6 1.0 OD1 B:ASP75 4.1 55.5 1.0 CB B:HIS120 4.2 39.5 1.0 CA B:HIS120 4.2 42.6 1.0 N B:HIS120 4.3 40.9 1.0 N B:GLY119 4.3 41.4 1.0 C B:ASP118 4.3 44.5 1.0 OD1 B:ASP368 4.4 58.6 1.0 CB B:ASP118 4.4 52.8 1.0 OD2 B:ASP368 4.4 52.8 1.0 OE1 B:GLU74 4.4 56.5 1.0 O B:HOH501 4.4 30.4 1.0 CA B:GLY119 4.5 40.3 1.0 O B:ASP118 4.5 44.8 1.0 CA B:ASP118 4.7 46.5 1.0 CB B:GLU74 4.9 52.8 1.0 CG B:ASP368 4.9 52.7 1.0 OG D:SER100 4.9 45.0 1.0

Magnesium binding site 5 out of 5 in the Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba


Mono view


Stereo pair view

A full contact list of Magnesium with other atoms in the Mg binding site number 5 of Crystal Structure of RCAR3:PP2C S265F/I267M with (+)-Aba within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg402 b:41.2 occ:1.00 OD2 B:ASP118 2.1 66.6 1.0 OD2 B:ASP368 2.3 52.8 1.0 OD1 B:ASP306 2.5 35.5 1.0 OD2 B:ASP306 2.5 44.4 1.0 O B:HOH509 2.7 34.0 1.0 CG B:ASP306 2.8 40.4 1.0 O B:HOH501 2.9 30.4 1.0 MG B:MG401 2.9 35.8 1.0 CG B:ASP118 3.0 60.3 1.0 OD1 B:ASP118 3.1 60.4 1.0 CG B:ASP368 3.4 52.7 1.0 OD1 B:ASP368 3.7 58.6 1.0 O D:HOH405 4.0 28.4 1.0 O B:HOH502 4.2 34.2 1.0 O B:HOH508 4.2 46.6 1.0 CB B:ASP306 4.3 35.8 1.0 CB B:ASP118 4.4 52.8 1.0 O B:HOH507 4.5 59.5 1.0 CB B:ASP368 4.7 48.5 1.0 OD1 B:ASP75 4.9 55.5 1.0 N B:ASP306 5.0 48.3 1.0

S.Han, M.K.Min, S.Y.Lee, C.W.Lim, N.Bhatnagar, Y.Lee, D.Shin, K.Y.Chung, S.C.Lee, B.G.Kim, S.Lee. Modulation of Aba Signaling By Altering Vxg Phi L Motif of PP2CS in Oryza Sativa. Mol Plant V. 10 1190 2017.
ISSN: ESSN 1752-9867
PubMed: 28827170
DOI: 10.1016/J.MOLP.2017.08.003