Chlorine in PDB 5nuk: Engineered Beta-Lactoglobulin: Variant I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-Clp)

The structure of Engineered Beta-Lactoglobulin: Variant I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-Clp), PDB code: 5nuk was solved by J.I.Loch, P.Bonarek, M.Tworzydlo, I.Lazinska, J.Szydlowska, K.Lewinski, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	14.81 / 1.70
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.160, 53.160, 112.619, 90.00, 90.00, 120.00
R / Rfree (%)	21.5 / 26.9

The binding sites of Chlorine atom in the Engineered Beta-Lactoglobulin: Variant I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-Clp) (pdb code 5nuk). 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 I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-Clp), PDB code: 5nuk:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Engineered Beta-Lactoglobulin: Variant I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-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 I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-Clp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:53.1 occ:0.90 CL1 A:Z80201 0.0 53.1 0.9 C10 A:Z80201 1.7 41.7 0.9 C11 A:Z80201 2.7 42.1 0.9 C9 A:Z80201 2.7 39.3 0.9 CB A:ALA39 3.5 19.2 1.0 CA A:ALA39 3.6 19.5 1.0 CD2 A:PHE107 3.9 27.7 1.0 CB A:ALA118 4.0 18.0 1.0 C4 A:Z80201 4.0 38.7 0.9 C8 A:Z80201 4.0 40.9 0.9 N A:ALA39 4.1 19.0 1.0 O A:PRO38 4.2 21.3 1.0 C A:PRO38 4.3 22.2 1.0 CE2 A:PHE107 4.5 28.7 1.0 CG A:PHE107 4.5 24.9 1.0 C3 A:Z80201 4.5 38.9 0.9 CB A:PHE107 4.6 19.4 1.0 C A:ALA39 4.9 18.2 1.0

Chlorine binding site 2 out of 2 in the Engineered Beta-Lactoglobulin: Variant I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-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 I56F-L39A-M107F in Complex with Chlorpromazine (Lg-Faf-Clp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl205 b:46.6 occ:1.00 O A:HOH372 2.7 30.8 1.0 O A:HOH301 3.2 38.9 1.0 NH1 A:ARG148 4.3 18.7 0.5 NH1 A:ARG148 4.5 22.3 0.5 CD A:ARG148 4.5 19.7 0.5 CZ A:ARG148 4.8 19.5 0.5 O A:HOH392 4.8 40.1 1.0 NE A:ARG148 4.9 20.4 0.5

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