Magnesium in PDB 5eci: Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg

All present enzymatic activity of Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg:
2.5.1.18;

The structure of Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg, PDB code: 5eci was solved by C.Y.Chen, Y.S.Cheng, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	24.57 / 1.56
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.889, 53.858, 195.396, 92.52, 97.02, 113.58
R / Rfree (%)	21.2 / 22.5

The binding sites of Magnesium atom in the Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg (pdb code 5eci). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 2 binding sites of Magnesium where determined in the Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg, PDB code: 5eci:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg


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 FIN219-FIP1 Complex with Ja, Atp and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:3.2 occ:1.00 O A:GLY163 2.0 3.2 1.0 C A:GLY163 2.3 3.2 1.0 O A:ILE97 2.4 3.2 1.0 CA A:LYS557 2.4 3.2 1.0 O3G A:ATP602 2.5 3.1 1.0 O A:HOH716 2.5 3.2 1.0 N A:THR164 2.8 3.1 1.0 N A:LYS557 2.8 3.2 1.0 CB A:LYS557 3.1 3.2 1.0 CA A:THR164 3.2 3.2 1.0 CA A:GLY163 3.2 3.2 1.0 C A:ALA556 3.3 3.2 1.0 CA A:SER98 3.4 3.2 1.0 C A:ILE97 3.4 3.2 1.0 O A:ALA556 3.5 3.2 1.0 N A:GLY163 3.6 3.2 1.0 CG A:LYS557 3.6 3.2 1.0 C A:LYS557 3.6 3.3 1.0 PG A:ATP602 3.8 3.1 1.0 O3B A:ATP602 3.8 3.3 1.0 O A:LYS557 3.8 3.2 1.0 N A:SER98 3.9 3.2 1.0 CB A:ALA556 4.1 3.2 1.0 OG1 A:THR164 4.1 3.2 1.0 O2B A:ATP602 4.1 3.2 1.0 C A:SER98 4.1 3.2 1.0 C A:THR164 4.2 3.2 1.0 CB A:THR164 4.3 3.2 1.0 N A:LEU99 4.3 3.2 1.0 CA A:ALA556 4.3 3.2 1.0 CB A:SER98 4.3 3.2 1.0 PB A:ATP602 4.4 3.1 1.0 O3A A:ATP602 4.5 3.2 1.0 CD A:LYS557 4.5 3.2 1.0 OG A:SER98 4.6 3.1 1.0 O1G A:ATP602 4.7 3.3 1.0 C A:VAL162 4.7 3.2 1.0 O2G A:ATP602 4.7 3.3 1.0 CA A:ILE97 4.7 3.2 1.0 CB A:GLN560 4.7 3.2 1.0 N A:VAL558 4.8 3.3 1.0 N A:ILE97 4.8 3.1 1.0 ND2 A:ASN168 4.9 3.2 1.0 N A:ALA165 4.9 3.2 1.0 O A:THR164 4.9 3.1 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of FIN219-FIP1 Complex with Ja, Atp and Mg


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 FIN219-FIP1 Complex with Ja, Atp and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg603 b:3.3 occ:1.00 O3G D:ATP602 1.8 3.3 1.0 PG D:ATP602 2.2 3.2 1.0 CB D:SER98 2.2 3.2 1.0 CA D:SER98 2.2 3.1 1.0 O1G D:ATP602 2.4 3.2 1.0 O3B D:ATP602 2.4 3.1 1.0 OG D:SER98 2.7 3.1 1.0 N D:LEU99 2.7 3.1 1.0 C D:SER98 2.9 3.1 1.0 CD D:LYS557 3.2 3.2 1.0 N D:SER98 3.5 3.1 1.0 O D:GLY163 3.5 3.2 1.0 O2G D:ATP602 3.5 3.2 1.0 CG D:LYS557 3.6 3.2 1.0 CB D:LYS557 3.6 3.1 1.0 PB D:ATP602 3.8 3.3 1.0 CE D:LYS557 3.8 3.2 1.0 O D:LEU99 3.8 3.2 1.0 O D:ILE97 3.8 3.2 1.0 NZ D:LYS557 4.0 3.2 1.0 C D:ILE97 4.0 3.1 1.0 O2B D:ATP602 4.0 3.2 1.0 CA D:LEU99 4.0 3.1 1.0 O D:SER98 4.1 3.2 1.0 CA D:LYS557 4.2 3.2 1.0 O3A D:ATP602 4.2 3.2 1.0 N D:LYS557 4.3 3.1 1.0 C D:LEU99 4.4 3.1 1.0 O1B D:ATP602 4.5 3.2 1.0 OG D:SER333 4.5 3.3 1.0 C D:GLY163 4.7 3.1 1.0 CB D:LEU99 4.7 3.2 1.0 O D:ILE111 4.8 3.2 1.0

C.Y.Chen, S.S.Ho, T.Y.Kuo, H.L.Hsieh, Y.S.Cheng. Structural Basis of Jasmonate-Amido Synthetase FIN219 in Complex with Glutathione S-Transferase FIP1 During the Ja Signal Regulation Proc. Natl. Acad. Sci. V. 114 E1815 2017U.S.A..
ISSN: ESSN 1091-6490
PubMed: 28223489
DOI: 10.1073/PNAS.1609980114