Magnesium in PDB 4ih0: Crystal Structure of Kirola (Act D 11) From Crystal Soaked with Serotonin

The structure of Crystal Structure of Kirola (Act D 11) From Crystal Soaked with Serotonin, PDB code: 4ih0 was solved by M.Chruszcz, M.A.Ciardiello, I.Giangrieco, T.Osinski, W.Minor, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	50.00 / 1.75
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	70.808, 70.808, 114.024, 90.00, 90.00, 120.00
R / Rfree (%)	19 / 21.6

The structure of Crystal Structure of Kirola (Act D 11) From Crystal Soaked with Serotonin also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Magnesium atom in the Crystal Structure of Kirola (Act D 11) From Crystal Soaked with Serotonin (pdb code 4ih0). 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 Kirola (Act D 11) From Crystal Soaked with Serotonin, PDB code: 4ih0:
Jump to Magnesium binding site number: 1; 2;

Magnesium binding site 1 out of 2 in the Crystal Structure of Kirola (Act D 11) From Crystal Soaked with Serotonin


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 Kirola (Act D 11) From Crystal Soaked with Serotonin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg206 b:32.8 occ:1.00 O A:HOH382 2.0 23.2 1.0 O A:HOH378 2.0 26.7 1.0 O A:HOH383 2.1 30.6 1.0 O A:HOH381 2.1 37.4 1.0 O A:HOH379 2.2 29.9 1.0 O A:HOH380 2.4 42.6 1.0 O A:HOH416 4.3 45.8 1.0 O A:MET93 4.3 25.3 1.0 O A:HOH422 4.3 51.6 1.0 O A:LYS97 4.3 18.8 1.0 SD A:MET93 4.6 32.7 1.0 O A:TYR96 4.7 19.4 1.0 CA A:LYS97 4.7 19.1 1.0 CB A:MET93 4.7 23.9 1.0 O A:HOH391 4.7 28.6 1.0 O A:HOH357 4.7 38.5 1.0 O A:HOH377 4.8 39.7 1.0 C A:LYS97 5.0 18.5 1.0

Magnesium binding site 2 out of 2 in the Crystal Structure of Kirola (Act D 11) From Crystal Soaked with Serotonin


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 Kirola (Act D 11) From Crystal Soaked with Serotonin within 5.0Å range: probe atom residue distance (Å) B Occ A:Mg208 b:43.1 occ:0.50 O A:HOH427 2.0 39.5 1.0 O A:HOH438 2.1 34.5 0.5 O A:HOH396 2.1 24.7 0.5 O A:HOH397 2.2 40.0 1.0 CL A:CL207 4.3 23.7 1.0 O A:HOH323 4.4 27.3 1.0 OD2 A:ASP77 4.6 22.8 1.0 CB A:ASP77 4.7 18.5 1.0 O A:HOH332 4.8 29.5 1.0 CB A:ALA75 4.9 14.1 1.0

M.Chruszcz, M.A.Ciardiello, T.Osinski, K.A.Majorek, I.Giangrieco, J.Font, H.Breiteneder, K.Thalassinos, W.Minor. Structural and Bioinformatic Analysis of the Kiwifruit Allergen Act D 11, A Member of the Family of Ripening-Related Proteins. Mol.Immunol. V. 56 794 2013.
ISSN: ISSN 0161-5890
PubMed: 23969108
DOI: 10.1016/J.MOLIMM.2013.07.004