Chlorine in PDB 5nun: Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp)

The structure of Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp), PDB code: 5nun was solved by J.I.Loch, P.Bonarek, M.Towrzydlo, I.Lazinskia, J.Szydlowska, K.Lewinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	13.84 / 1.95
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.657, 53.657, 110.700, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 26.2

The binding sites of Chlorine atom in the Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp) (pdb code 5nun). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp), PDB code: 5nun:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:40.4 occ:0.50 CL1 A:Z80201 0.0 40.4 0.5 C10 A:Z80201 1.7 36.7 0.5 C9 A:Z80201 1.8 47.2 0.5 CL1 A:Z80201 2.1 39.3 0.5 C10 A:Z80201 2.1 46.7 0.5 C9 A:Z80201 2.7 37.0 0.5 C11 A:Z80201 2.7 36.3 0.5 C8 A:Z80201 3.1 49.5 0.5 CD2 A:LEU58 3.3 34.3 1.0 C11 A:Z80201 3.5 47.7 0.5 CE1 A:PHE107 3.5 28.8 1.0 CG2 A:ILE56 3.7 23.5 1.0 CD1 A:ILE71 3.8 42.1 1.0 CZ A:PHE107 3.8 30.9 1.0 C8 A:Z80201 4.0 35.9 0.5 C4 A:Z80201 4.0 34.6 0.5 CD1 A:ILE56 4.0 25.2 1.0 CG1 A:VAL41 4.1 30.8 1.0 C3 A:Z80201 4.2 52.8 0.5 CD1 A:PHE107 4.3 27.7 1.0 C4 A:Z80201 4.4 52.4 0.5 CB A:ILE56 4.4 23.6 1.0 CG1 A:ILE71 4.5 39.8 1.0 C3 A:Z80201 4.5 35.5 0.5 CE2 A:PHE107 4.7 33.1 1.0 CG1 A:ILE56 4.7 24.4 1.0 CG A:LEU58 4.8 31.0 1.0 C13 A:Z80201 5.0 37.0 0.5

Chlorine binding site 2 out of 2 in the Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Engineered Beta-Lactoglobulin: Variant F105L-L39A-M107F in Complex with Chlorpromazine (Lg-Laf-Clp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:39.3 occ:0.50 CL1 A:Z80201 0.0 39.3 0.5 C10 A:Z80201 1.7 46.7 0.5 CL1 A:Z80201 2.1 40.4 0.5 C11 A:Z80201 2.7 36.3 0.5 C11 A:Z80201 2.7 47.7 0.5 C9 A:Z80201 2.7 47.2 0.5 C10 A:Z80201 2.8 36.7 0.5 CD1 A:ILE71 2.8 42.1 1.0 CD1 A:ILE56 3.4 25.2 1.0 CG1 A:ILE71 3.5 39.8 1.0 CD1 A:ILE84 3.7 30.5 1.0 CE1 A:PHE107 3.9 28.8 1.0 C4 A:Z80201 4.0 52.4 0.5 C8 A:Z80201 4.0 49.5 0.5 C4 A:Z80201 4.0 34.6 0.5 C9 A:Z80201 4.1 37.0 0.5 CD1 A:PHE107 4.2 27.7 1.0 C13 A:Z80201 4.2 37.0 0.5 CD2 A:LEU58 4.4 34.3 1.0 CB A:ILE56 4.4 23.6 1.0 CG2 A:ILE56 4.4 23.5 1.0 C12 A:Z80201 4.4 37.4 0.5 CG1 A:ILE56 4.5 24.4 1.0 C3 A:Z80201 4.5 52.8 0.5 N1 A:Z80201 4.7 34.8 0.5 CG2 A:VAL92 4.7 22.3 1.0 CB A:ILE71 4.7 38.1 1.0 CZ A:PHE107 4.8 30.9 1.0 CG1 A:ILE84 5.0 33.1 1.0

J.I.Loch, P.Bonarek, M.Tworzydlo, I.Lazinska, J.Szydlowska, J.Lipowska, K.Rzesikowska, K.Lewinski. The Engineered Beta-Lactoglobulin with Complementarity to the Chlorpromazine Chiral Conformers. Int. J. Biol. Macromol. V. 114 85 2018.
ISSN: ISSN 1879-0003
PubMed: 29555509
DOI: 10.1016/J.IJBIOMAC.2018.03.074