Chlorine in PDB 4igw: Crystal Structure of Kirola (Act D 11) in P6122 Space Group

The structure of Crystal Structure of Kirola (Act D 11) in P6122 Space Group, PDB code: 4igw 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 / 2.55
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	59.989, 59.989, 339.022, 90.00, 90.00, 120.00
R / Rfree (%)	21.8 / 25.3

The binding sites of Chlorine atom in the Crystal Structure of Kirola (Act D 11) in P6122 Space Group (pdb code 4igw). 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) in P6122 Space Group, PDB code: 4igw:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Kirola (Act D 11) in P6122 Space Group


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) in P6122 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl204 b:44.7 occ:0.50 N A:VAL52 3.1 42.8 1.0 CA A:THR51 3.4 44.0 1.0 CB A:THR51 3.7 45.2 1.0 C A:THR51 3.7 43.1 1.0 CB A:VAL52 4.0 42.0 1.0 CG2 A:VAL52 4.1 39.4 1.0 CA A:VAL52 4.1 41.6 1.0 CG2 A:THR51 4.4 44.8 1.0 O A:GLY50 4.4 45.4 1.0 N A:THR51 4.7 44.4 1.0 CD1 A:ILE76 4.7 38.0 1.0 O A:VAL52 4.7 42.8 1.0 NH2 A:ARG25 4.8 52.0 1.0 OG1 A:THR51 4.8 45.6 1.0 C A:VAL52 4.9 43.3 1.0 O A:THR51 5.0 42.3 1.0 C A:GLY50 5.0 44.8 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Kirola (Act D 11) in P6122 Space Group


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) in P6122 Space Group within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl203 b:32.5 occ:0.50 N B:VAL52 3.0 40.2 1.0 CA B:THR51 3.3 41.0 1.0 CB B:THR51 3.5 41.9 1.0 C B:THR51 3.6 40.1 1.0 CB B:VAL52 4.0 39.1 1.0 CA B:VAL52 4.0 38.9 1.0 CG2 B:VAL52 4.0 35.7 1.0 CG2 B:THR51 4.1 40.9 1.0 O B:GLY50 4.3 42.6 1.0 N B:THR51 4.5 41.9 1.0 CD1 B:ILE76 4.6 36.1 1.0 O B:VAL52 4.6 39.6 1.0 OG1 B:THR51 4.7 41.8 1.0 C B:VAL52 4.8 40.1 1.0 O B:THR51 4.8 38.9 1.0 C B:GLY50 4.9 41.8 1.0 NH2 B:ARG25 4.9 48.8 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