Chlorine in PDB 4igx: Crystal Structure of Kirola (Act D 11) - Triclinic Form

The structure of Crystal Structure of Kirola (Act D 11) - Triclinic Form, PDB code: 4igx 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 / 2.35
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	38.661, 43.039, 94.126, 76.70, 85.67, 83.49
R / Rfree (%)	18.4 / 24.2

The binding sites of Chlorine atom in the Crystal Structure of Kirola (Act D 11) - Triclinic Form (pdb code 4igx). 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) - Triclinic Form, PDB code: 4igx:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Kirola (Act D 11) - Triclinic Form


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) - Triclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl201 b:45.7 occ:1.00 N B:VAL52 3.2 63.9 1.0 N D:VAL52 3.2 55.7 1.0 CA B:THR51 3.6 64.8 1.0 CA D:THR51 3.6 56.6 1.0 CB D:THR51 3.8 58.6 1.0 CB B:THR51 3.8 70.3 1.0 CG2 B:VAL52 3.9 60.5 1.0 C B:THR51 3.9 63.2 1.0 C D:THR51 3.9 55.3 1.0 CB B:VAL52 4.0 64.6 1.0 CB D:VAL52 4.0 57.0 1.0 CG2 D:VAL52 4.1 55.9 1.0 CA B:VAL52 4.2 62.5 1.0 CG2 B:THR51 4.2 70.5 1.0 CA D:VAL52 4.2 55.5 1.0 O B:GLY50 4.2 62.3 1.0 CG2 D:THR51 4.4 58.4 1.0 O D:GLY50 4.4 58.6 1.0 CD1 B:ILE76 4.5 56.8 1.0 N B:THR51 4.7 62.5 1.0 O D:VAL52 4.8 58.0 1.0 N D:THR51 4.8 56.3 1.0 CD1 D:ILE76 4.9 55.2 1.0 C B:GLY50 4.9 61.3 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Kirola (Act D 11) - Triclinic Form


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) - Triclinic Form within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl201 b:36.6 occ:1.00 N C:VAL52 3.2 45.2 1.0 N A:VAL52 3.2 50.4 1.0 CA C:THR51 3.5 47.8 1.0 CA A:THR51 3.6 52.1 1.0 CG2 C:VAL52 3.7 43.6 1.0 CB C:THR51 3.8 50.2 1.0 C C:THR51 3.8 46.3 1.0 CG2 A:VAL52 3.9 46.4 1.0 C A:THR51 3.9 50.5 1.0 CB A:THR51 3.9 56.4 1.0 CB C:VAL52 4.0 46.0 1.0 CB A:VAL52 4.0 50.1 1.0 O C:GLY50 4.1 51.1 1.0 CA C:VAL52 4.2 44.8 1.0 CG2 C:THR51 4.2 50.6 1.0 CA A:VAL52 4.2 48.6 1.0 O A:GLY50 4.3 53.2 1.0 CD1 A:ILE76 4.5 48.0 1.0 CG2 A:THR51 4.5 56.1 1.0 N C:THR51 4.6 48.6 1.0 CD1 C:ILE76 4.7 46.0 1.0 N A:THR51 4.8 51.5 1.0 C C:GLY50 4.8 50.3 1.0 O C:VAL52 4.9 47.7 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