Magnesium in PDB 3kb3: Crystal Structure of Abscisic Acid-Bound PYL2 in Complex with HAB1

All present enzymatic activity of Crystal Structure of Abscisic Acid-Bound PYL2 in Complex with HAB1:
3.1.3.16;

The structure of Crystal Structure of Abscisic Acid-Bound PYL2 in Complex with HAB1, PDB code: 3kb3 was solved by X.E.Zhou, K.Melcher, F.-F.Soon, L.-M.Ng, Y.Xu, K.M.Suino-Powell, A.Kovach, J.Li, H.E.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.52 / 1.95
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	60.319, 67.466, 143.905, 90.00, 90.00, 90.00
R / Rfree (%)	21.4 / 25.9

The binding sites of Magnesium atom in the Crystal Structure of Abscisic Acid-Bound PYL2 in Complex with HAB1 (pdb code 3kb3). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 3 binding sites of Magnesium where determined in the Crystal Structure of Abscisic Acid-Bound PYL2 in Complex with HAB1, PDB code: 3kb3:
Jump to Magnesium binding site number: 1; 2; 3;

Magnesium binding site 1 out of 3 in the Crystal Structure of Abscisic Acid-Bound PYL2 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 Abscisic Acid-Bound PYL2 in Complex with HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg997 b:47.7 occ:1.00 OD1 B:ASP432 2.5 36.8 1.0 OD2 B:ASP243 2.7 30.8 1.0 O B:HOH33 2.8 42.8 1.0 O B:HOH120 3.0 47.3 1.0 OD1 B:ASP492 3.0 58.5 1.0 CG B:ASP492 3.2 52.1 1.0 OD1 B:ASP243 3.2 34.8 1.0 CG B:ASP243 3.3 30.2 1.0 OD2 B:ASP492 3.3 56.6 1.0 CG B:ASP432 3.5 33.7 1.0 OD2 B:ASP432 3.7 40.9 1.0 O B:HOH89 4.0 39.3 1.0 CB B:ASP492 4.1 46.9 1.0 MG B:MG998 4.5 42.2 1.0 MG B:MG999 4.6 37.7 1.0 N B:GLY433 4.6 27.0 1.0 O B:HOH46 4.8 31.0 1.0 CB B:ASP243 4.8 27.2 1.0 CB B:ASP432 4.8 29.7 1.0 N B:ASP432 4.9 28.6 1.0 O B:ASN493 4.9 26.4 1.0 O B:HOH36 4.9 40.4 1.0 C B:ASP432 5.0 28.0 1.0

Magnesium binding site 2 out of 3 in the Crystal Structure of Abscisic Acid-Bound PYL2 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 Abscisic Acid-Bound PYL2 in Complex with HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg998 b:42.2 occ:1.00 OD1 B:ASP243 2.6 34.8 1.0 OD1 B:ASN493 2.8 27.1 1.0 OD1 B:ASP204 2.8 37.4 1.0 O B:GLY244 2.8 26.6 1.0 C B:GLU203 3.5 28.7 1.0 N B:ASP204 3.5 29.1 1.0 CG B:ASN493 3.6 27.3 1.0 N B:GLY244 3.7 26.6 1.0 O B:HOH120 3.7 47.3 1.0 CB B:GLU203 3.7 29.8 1.0 C B:GLY244 3.8 25.4 1.0 CG B:ASP204 3.8 30.8 1.0 O B:GLU203 3.8 28.6 1.0 CG B:ASP243 3.8 30.2 1.0 CB B:ASN493 3.9 29.2 1.0 CA B:GLU203 4.0 28.6 1.0 CA B:GLY244 4.1 25.6 1.0 C B:ASP243 4.2 25.9 1.0 CA B:ASP204 4.2 29.3 1.0 N B:GLU203 4.2 28.5 1.0 O B:HOH33 4.3 42.8 1.0 OD1 B:ASP492 4.3 58.5 1.0 CA B:ASP243 4.4 26.7 1.0 CB B:ASP204 4.5 29.3 1.0 O B:HOH63 4.5 43.4 1.0 MG B:MG997 4.5 47.7 1.0 OE1 B:GLU203 4.6 28.7 1.0 OD2 B:ASP243 4.7 30.8 1.0 OD2 B:ASP204 4.7 29.1 1.0 CB B:ASP243 4.7 27.2 1.0 CG B:GLU203 4.8 30.6 1.0 ND2 B:ASN493 4.9 21.6 1.0 O B:ASP243 4.9 27.1 1.0 N B:HIS245 5.0 25.3 1.0

Magnesium binding site 3 out of 3 in the Crystal Structure of Abscisic Acid-Bound PYL2 in Complex with HAB1


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 Abscisic Acid-Bound PYL2 in Complex with HAB1 within 5.0Å range: probe atom residue distance (Å) B Occ B:Mg999 b:37.7 occ:1.00 OD2 B:ASP243 2.5 30.8 1.0 OG B:SER347 2.7 33.4 1.0 N B:ASP432 2.9 28.6 1.0 OD1 B:ASP346 3.1 31.6 1.0 N B:SER347 3.3 31.0 1.0 CG B:ASP243 3.4 30.2 1.0 CA B:SER347 3.5 31.7 1.0 CB B:ASP243 3.5 27.2 1.0 CA B:SER431 3.5 27.8 1.0 CG B:ASP432 3.5 33.7 1.0 O B:ASP346 3.6 33.0 1.0 C B:ASP346 3.6 32.0 1.0 CB B:SER347 3.6 30.7 1.0 C B:SER431 3.6 28.2 1.0 OD1 B:ASP432 3.6 36.8 1.0 CB B:ASP432 3.7 29.7 1.0 O B:HOH89 3.7 39.3 1.0 CB B:SER431 3.8 28.8 1.0 CA B:ASP432 3.8 28.9 1.0 OD2 B:ASP432 3.9 40.9 1.0 CG2 B:THR328 4.1 27.2 1.0 CG B:ASP346 4.1 31.4 1.0 OG1 B:THR328 4.3 26.4 1.0 MG B:MG997 4.6 47.7 1.0 OD1 B:ASP243 4.6 34.8 1.0 CA B:ASP346 4.6 32.2 1.0 CB B:THR328 4.7 28.7 1.0 N B:SER431 4.8 28.6 1.0 O B:SER431 4.8 25.3 1.0 CB B:ASP346 4.8 33.2 1.0 O B:ALA430 4.9 31.4 1.0 O B:HOH33 4.9 42.8 1.0 C B:ASP432 4.9 28.0 1.0 OG B:SER431 5.0 30.1 1.0 C B:SER347 5.0 32.4 1.0 OD2 B:ASP346 5.0 33.8 1.0 CA B:ASP243 5.0 26.7 1.0 N B:ASP346 5.0 32.5 1.0

K.Melcher, L.-M.Ng, X.E.Zhou, F.-F.Soon, Y.Xu, K.-M.Suino-Powell, S.-Y.Park, J.J.Weiner, H.Fujii, V.Chinnusamy, A.Kovach, J.Li, Y.Wang, J.Y.Li, F.C.Peterson, D.R.Jensen, E.-L.Yong, B.F.Volkman, S.R.Cutler, J.-K.Zhu, H.E.Xu. Agate-Latch-Lock Mechanism For Hormone Signalling By Abscisic Acid Receptors Nature V. 462 602 2009.
ISSN: ISSN 0028-0836