Chlorine in PDB 3nq9: Bovine Beta-Lactoglobulin Complex with Caprylic Acid

The structure of Bovine Beta-Lactoglobulin Complex with Caprylic Acid, PDB code: 3nq9 was solved by J.Loch, K.Lewinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	9.84 / 1.90
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.470, 53.470, 112.060, 90.00, 90.00, 120.00
R / Rfree (%)	23.3 / 30.9

The binding sites of Chlorine atom in the Bovine Beta-Lactoglobulin Complex with Caprylic Acid (pdb code 3nq9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Bovine Beta-Lactoglobulin Complex with Caprylic Acid, PDB code: 3nq9:

Chlorine binding site 1 out of 1 in the Bovine Beta-Lactoglobulin Complex with Caprylic Acid


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Beta-Lactoglobulin Complex with Caprylic Acid within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl163 b:33.8 occ:1.00 O A:ILE78 2.7 25.2 1.0 O A:VAL81 3.0 26.4 1.0 N A:THR76 3.2 30.3 1.0 O A:HOH1062 3.4 41.5 1.0 O A:THR76 3.4 27.6 1.0 CB A:LYS75 3.5 32.4 1.0 O A:PRO79 3.5 26.3 1.0 CA A:LYS75 3.6 31.4 1.0 CE2 A:PHE82 3.7 20.0 1.0 C A:ILE78 3.7 26.4 1.0 CA A:PRO79 3.8 25.7 1.0 C A:PRO79 3.8 25.6 1.0 CZ A:PHE82 3.8 22.3 1.0 O A:HOH1014 3.9 35.3 1.0 C A:LYS75 3.9 30.9 1.0 CD2 A:PHE82 4.0 23.3 1.0 OG1 A:THR76 4.0 26.5 1.0 C A:VAL81 4.0 25.7 1.0 C A:THR76 4.1 29.0 1.0 CA A:THR76 4.1 29.0 1.0 N A:PRO79 4.1 25.6 1.0 CE1 A:PHE82 4.3 19.1 1.0 N A:VAL81 4.3 24.3 1.0 O A:HOH1073 4.4 32.9 1.0 CG A:PHE82 4.4 22.0 1.0 CD1 A:PHE82 4.6 24.3 1.0 N A:ALA80 4.7 24.8 1.0 CB A:THR76 4.7 29.0 1.0 CA A:VAL81 4.8 25.0 1.0 N A:ILE78 4.8 28.5 1.0 CG A:LYS75 4.8 32.1 1.0 N A:PHE82 4.9 25.6 1.0 N A:LYS75 4.9 32.2 1.0 CA A:ILE78 4.9 27.0 1.0 CA A:PHE82 5.0 26.4 1.0

J.Loch, A.Polit, A.Gorecki, P.Bonarek, K.Kurpiewska, M.Dziedzicka-Wasylewska, K.Lewinski. Two Modes of Fatty Acid Binding to Bovine Beta-Lactoglobulin-Crystallographic and Spectroscopic Studies J.Mol.Recognit. V. 24 341 2011.
ISSN: ISSN 0952-3499
PubMed: 21360616
DOI: 10.1002/JMR.1084