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

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

The structure of Crystal Structure of FIN219-FIP1 Complex with Ja, Ile and Mg, PDB code: 5ecl 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)	24.15 / 1.85
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	53.803, 53.884, 193.165, 90.07, 90.03, 66.39
R / Rfree (%)	20.8 / 21.9

The binding sites of Magnesium atom in the Crystal Structure of FIN219-FIP1 Complex with Ja, Ile and Mg (pdb code 5ecl). This binding sites where shown within 5.0 Angstroms radius around Magnesium atom.
In total 4 binding sites of Magnesium where determined in the Crystal Structure of FIN219-FIP1 Complex with Ja, Ile and Mg, PDB code: 5ecl:
Jump to Magnesium binding site number: 1; 2; 3; 4;

Magnesium binding site 1 out of 4 in the Crystal Structure of FIN219-FIP1 Complex with Ja, Ile 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, Ile and Mg within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg603 b:11.0 occ:1.00 O A:HOH764 2.1 5.5 1.0 CD2 A:HIS534 2.3 12.0 1.0 O A:LYS530 2.5 2.0 1.0 O A:HOH722 2.7 10.4 1.0 CG A:HIS534 3.0 4.8 1.0 C A:LYS530 3.1 7.0 1.0 CB A:HIS534 3.1 14.2 1.0 O A:ILE602 3.2 3.9 1.0 OXT A:ILE602 3.3 2.4 1.0 NE2 A:HIS534 3.5 6.4 1.0 C A:ILE602 3.6 3.5 1.0 CB A:LYS530 3.7 5.1 1.0 N A:ILE531 3.7 4.3 1.0 CA A:ILE531 3.9 5.9 1.0 CA A:LYS530 3.9 6.8 1.0 N A:HIS534 3.9 2.6 1.0 CA A:HIS534 4.1 2.0 1.0 ND1 A:HIS534 4.2 11.4 1.0 CG2 A:THR166 4.4 2.0 1.0 CD1 A:ILE531 4.4 3.4 1.0 CE1 A:HIS534 4.4 3.1 1.0 C A:ILE531 4.5 2.0 1.0 O A:ILE531 4.5 6.5 1.0 CD1 A:ILE561 4.6 7.4 1.0 O A:HOH791 4.7 8.7 1.0 CB A:THR164 4.7 5.8 1.0 CB A:THR166 4.8 4.6 1.0 N A:THR166 5.0 10.5 1.0 CA A:ILE602 5.0 2.0 1.0

Magnesium binding site 2 out of 4 in the Crystal Structure of FIN219-FIP1 Complex with Ja, Ile 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, Ile and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg603 b:9.4 occ:1.00 O D:HOH811 2.2 2.7 1.0 O D:HOH798 2.8 22.9 1.0 O D:HOH710 3.1 9.6 1.0 O D:HOH863 3.2 10.8 1.0 O D:HOH773 3.3 5.1 1.0 O D:HOH738 3.4 2.9 1.0 OE1 D:GLN146 3.7 23.6 1.0 SD D:MET179 3.8 13.0 1.0 CE2 D:PHE125 3.8 2.4 1.0 CZ D:PHE125 3.9 10.7 1.0 CG2 D:THR183 4.2 7.4 1.0 CD D:GLN146 4.3 9.8 1.0 CG D:MET179 4.4 2.0 1.0 OH D:TYR218 4.4 2.8 1.0 NE2 D:GLN146 4.5 12.9 1.0 CE1 D:PHE129 4.9 2.0 1.0 CB D:THR183 4.9 2.0 1.0 CE D:MET179 4.9 12.6 1.0 CZ D:PHE129 4.9 2.0 1.0 CD2 D:PHE125 5.0 5.0 1.0 OH D:TYR170 5.0 2.0 1.0

Magnesium binding site 3 out of 4 in the Crystal Structure of FIN219-FIP1 Complex with Ja, Ile and Mg


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 FIN219-FIP1 Complex with Ja, Ile and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg604 b:10.2 occ:1.00 O D:HOH892 2.0 12.9 1.0 O D:HOH776 2.4 9.6 1.0 O D:HOH804 2.4 5.3 1.0 OG1 D:THR121 2.8 2.7 1.0 NE1 D:TRP336 3.1 4.1 1.0 CZ2 D:TRP336 3.2 2.0 1.0 O D:HOH899 3.2 7.9 1.0 CE2 D:TRP336 3.4 3.4 1.0 C D:SER332 3.9 5.0 1.0 O D:SER332 4.0 4.2 1.0 CD1 D:LEU117 4.1 2.0 1.0 N D:SER333 4.1 3.4 1.0 CB D:THR121 4.2 4.5 1.0 CD1 D:TRP336 4.2 5.5 1.0 CA D:SER332 4.3 10.9 1.0 CH2 D:TRP336 4.3 4.8 1.0 CG2 D:THR121 4.5 4.9 1.0 O D:HOH837 4.5 2.0 1.0 O D:LEU117 4.6 3.6 1.0 CD2 D:TRP336 4.6 5.4 1.0 CA D:SER333 4.6 10.3 1.0 O D:HOH793 4.6 8.8 1.0 O D:HOH735 4.8 2.0 1.0 C14 D:JAA601 4.9 5.9 1.0 N D:SER332 4.9 2.0 1.0

Magnesium binding site 4 out of 4 in the Crystal Structure of FIN219-FIP1 Complex with Ja, Ile and Mg


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 FIN219-FIP1 Complex with Ja, Ile and Mg within 5.0Å range: probe atom residue distance (Å) B Occ D:Mg605 b:9.0 occ:1.00 O D:HOH793 1.9 8.8 1.0 O D:HOH744 2.1 8.8 1.0 O D:SER333 2.2 2.0 1.0 C D:SER333 2.7 10.8 1.0 O D:SER332 2.9 4.2 1.0 N D:GLY335 2.9 8.4 1.0 O D:HOH754 3.0 2.0 1.0 C D:GLU334 3.0 5.7 1.0 O D:HOH855 3.0 4.6 1.0 CA D:GLY335 3.0 6.1 1.0 O D:GLU334 3.3 6.0 1.0 N D:GLU334 3.4 16.2 1.0 CA D:SER333 3.5 10.3 1.0 CA D:GLU334 3.7 3.1 1.0 C D:SER332 3.8 5.0 1.0 C D:GLY335 3.8 7.1 1.0 O D:HOH776 4.0 9.6 1.0 CB D:ALA396 4.0 2.5 1.0 ND2 D:ASN394 4.0 4.8 1.0 N D:SER333 4.1 3.4 1.0 N D:TRP336 4.1 5.4 1.0 O D:GLY335 4.6 8.6 1.0 CB D:LEU117 4.7 4.5 1.0 CB D:SER333 4.9 3.0 1.0 CD1 D:TRP336 5.0 5.5 1.0 CA D:ALA396 5.0 3.6 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