Chlorine in PDB 4igv: Crystal Structure of Kirola (Act D 11)

The structure of Crystal Structure of Kirola (Act D 11), PDB code: 4igv 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 / 1.50
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	71.781, 71.781, 113.817, 90.00, 90.00, 120.00
R / Rfree (%)	16.9 / 20.3

The binding sites of Chlorine atom in the Crystal Structure of Kirola (Act D 11) (pdb code 4igv). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the Crystal Structure of Kirola (Act D 11), PDB code: 4igv:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the Crystal Structure of Kirola (Act D 11)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:26.4 occ:1.00 OG A:SER32 3.0 21.5 0.5 OG A:SER32 3.1 16.8 0.5 O A:HOH320 3.2 22.4 1.0 N A:VAL42 3.3 14.9 1.0 O A:HOH341 3.4 25.1 1.0 CB A:SER32 3.7 16.4 0.5 O A:VAL42 3.7 16.6 1.0 CB A:SER32 3.8 18.6 0.5 CA A:GLY41 3.8 15.9 1.0 C A:GLY41 4.0 15.4 1.0 O A:TYR29 4.1 16.3 1.0 CA A:VAL42 4.2 14.3 1.0 C A:VAL42 4.2 16.0 1.0 CB A:TYR29 4.3 14.6 1.0 CB A:VAL42 4.4 15.0 1.0 O A:HOH347 4.6 24.3 0.5 CA A:TYR29 4.6 13.7 1.0 O A:HOH443 4.6 45.5 1.0 O A:HOH331 4.7 26.4 1.0 OD1 A:ASP43 4.7 21.0 1.0 O A:GLN40 4.7 20.6 1.0 N A:GLY41 4.8 15.8 1.0 C A:TYR29 4.8 14.6 1.0 CG2 A:VAL42 4.9 15.8 1.0

Chlorine binding site 2 out of 3 in the Crystal Structure of Kirola (Act D 11)


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) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl209 b:17.6 occ:0.50 O A:HOH358 2.9 29.5 1.0 N A:VAL52 3.0 15.1 1.0 CB A:VAL52 3.7 15.9 1.0 CA A:THR51 3.7 14.8 1.0 CG2 A:VAL52 3.8 17.9 1.0 C A:THR51 3.8 14.5 1.0 CA A:VAL52 3.9 15.2 1.0 CB A:THR51 3.9 16.4 1.0 O A:VAL52 4.5 18.1 1.0 CG2 A:THR51 4.5 19.9 1.0 C A:VAL52 4.7 16.6 1.0 O A:GLY50 4.8 15.1 1.0 CD1 A:ILE76 4.8 16.9 1.0 N A:THR51 5.0 14.9 1.0

Chlorine binding site 3 out of 3 in the Crystal Structure of Kirola (Act D 11)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Crystal Structure of Kirola (Act D 11) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl210 b:59.4 occ:1.00 O A:HOH347 3.3 24.3 0.5 CD1 A:TYR29 3.8 15.7 1.0 CE1 A:TYR29 3.9 16.4 1.0 CD2 A:LEU30 3.9 18.5 1.0 OE1 A:GLU33 4.5 42.4 1.0 O A:HOH333 4.6 26.7 0.3

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