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

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

Resolution Low / High (Å)	34.37 / 1.60
Space group	P 63 2 2
Cell size a, b, c (Å), α, β, γ (°)	72.060, 72.060, 113.585, 90.00, 90.00, 120.00
R / Rfree (%)	17.5 / 21.2

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

Chlorine binding site 1 out of 2 in the Crystal Structure of Recombinant 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 Recombinant Kirola (Act D 11) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl207 b:18.4 occ:1.00 OG A:SER32 3.1 15.8 0.5 OG A:SER32 3.2 12.9 0.5 O A:HOH432 3.2 41.6 1.0 N A:VAL42 3.3 11.2 1.0 O A:HOH349 3.3 21.4 1.0 O A:HOH336 3.4 21.3 1.0 O A:VAL42 3.7 10.4 1.0 CA A:GLY41 3.7 11.4 1.0 CB A:SER32 3.7 13.0 0.5 CB A:SER32 3.8 13.8 0.5 C A:GLY41 4.0 10.8 1.0 O A:TYR29 4.1 11.7 1.0 CB A:TYR29 4.2 11.0 1.0 CA A:VAL42 4.2 10.6 1.0 C A:VAL42 4.3 11.1 1.0 CA A:TYR29 4.5 10.2 1.0 CB A:VAL42 4.5 11.4 1.0 O A:HOH358 4.6 23.2 1.0 O A:HOH344 4.6 21.5 1.0 O A:GLN40 4.6 14.9 1.0 N A:GLY41 4.7 11.7 1.0 C A:TYR29 4.8 10.7 1.0 OD1 A:ASP43 4.8 15.5 1.0 CG2 A:VAL42 4.9 11.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Recombinant 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 Recombinant Kirola (Act D 11) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl208 b:15.2 occ:0.50 N A:VAL52 3.2 11.1 1.0 O A:HOH341 3.3 22.7 1.0 CA A:THR51 3.7 11.6 1.0 CG2 A:VAL52 3.8 11.5 1.0 CB A:VAL52 3.9 11.2 1.0 C A:THR51 4.0 11.2 1.0 CB A:THR51 4.0 13.3 1.0 CA A:VAL52 4.1 11.0 1.0 CG2 A:THR51 4.5 14.6 1.0 O A:GLY50 4.7 11.1 1.0 CD1 A:ILE76 4.7 10.4 1.0 O A:VAL52 4.8 12.9 1.0 NH2 A:ARG25 4.9 10.9 1.0 C A:VAL52 5.0 11.7 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