Chlorine 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:

Magnesium

(Mg)

2 atoms

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

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl205 b:28.5 occ:0.50 N A:VAL52 3.3 16.5 1.0 CA A:THR51 3.8 18.5 1.0 CB A:THR51 3.9 21.2 1.0 CB A:VAL52 4.0 17.7 1.0 C A:THR51 4.0 17.0 1.0 CG2 A:VAL52 4.2 18.6 1.0 CA A:VAL52 4.2 15.8 1.0 CG2 A:THR51 4.4 22.9 1.0 O A:GLY50 4.7 19.9 1.0 CD1 A:ILE76 4.9 17.7 1.0 O A:VAL52 4.9 17.4 1.0

Chlorine 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 Chlorine with other atoms in the Cl 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:Cl207 b:23.7 occ:1.00 O A:HOH397 2.9 40.0 1.0 OG1 A:THR84 3.0 16.4 1.0 OG A:SER82 3.1 19.5 1.0 C A:SER82 3.6 13.0 1.0 O A:SER82 3.7 12.8 1.0 CB A:SER82 3.7 17.6 1.0 O A:ALA75 3.7 12.4 1.0 N A:THR84 3.7 11.8 1.0 N A:VAL83 3.8 12.5 0.5 N A:VAL83 3.8 12.5 0.5 C A:VAL83 3.8 12.2 0.5 CA A:VAL83 3.8 12.3 0.5 C A:ALA75 3.8 13.3 1.0 CB A:ALA75 3.9 14.1 1.0 CA A:VAL83 3.9 12.2 0.5 C A:VAL83 3.9 12.1 0.5 N A:ASP77 3.9 14.6 1.0 CB A:THR84 4.0 13.4 1.0 O A:HOH323 4.0 27.3 1.0 N A:ILE76 4.1 13.4 1.0 CA A:ILE76 4.1 14.3 1.0 C A:ILE76 4.2 14.7 1.0 MG A:MG208 4.3 43.1 0.5 CA A:SER82 4.3 14.7 1.0 O A:VAL83 4.3 11.7 0.5 O A:HOH396 4.4 24.7 0.5 CB A:ASP77 4.4 18.5 1.0 CA A:THR84 4.4 12.3 1.0 CA A:ALA75 4.5 13.0 1.0 O A:VAL83 4.7 11.5 0.5 O A:HOH339 4.7 27.3 1.0 CA A:ASP77 4.8 16.7 1.0 CG2 A:ILE102 4.8 16.2 1.0 O A:ILE76 4.9 14.3 1.0 O A:HOH332 5.0 29.5 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