Chlorine in PDB 5nuj: Engineered Beta-Lactoglobulin: Variant I56F-L39A in Complex with Chlorpromazine (Lg-Fa-Clp)

The structure of Engineered Beta-Lactoglobulin: Variant I56F-L39A in Complex with Chlorpromazine (Lg-Fa-Clp), PDB code: 5nuj 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)	14.92 / 2.60
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	54.012, 54.012, 111.344, 90.00, 90.00, 120.00
R / Rfree (%)	22.4 / 33.1

The binding sites of Chlorine atom in the Engineered Beta-Lactoglobulin: Variant I56F-L39A in Complex with Chlorpromazine (Lg-Fa-Clp) (pdb code 5nuj). 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 Engineered Beta-Lactoglobulin: Variant I56F-L39A in Complex with Chlorpromazine (Lg-Fa-Clp), PDB code: 5nuj:

Chlorine binding site 1 out of 1 in the Engineered Beta-Lactoglobulin: Variant I56F-L39A in Complex with Chlorpromazine (Lg-Fa-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 in Complex with Chlorpromazine (Lg-Fa-Clp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:82.0 occ:0.75 CL1 A:Z80201 0.0 82.0 0.8 C10 A:Z80201 1.7 62.6 0.8 C11 A:Z80201 2.7 59.8 0.8 C9 A:Z80201 2.7 61.6 0.8 CD1 A:LEU58 3.3 42.0 1.0 CD2 A:PHE56 3.4 34.9 1.0 CE2 A:PHE56 3.6 36.5 1.0 CG A:PHE56 3.7 35.5 1.0 C4 A:Z80201 4.0 59.0 0.8 C8 A:Z80201 4.0 59.9 0.8 CZ A:PHE56 4.1 37.8 1.0 CD1 A:PHE56 4.1 33.8 1.0 CD2 A:LEU58 4.2 42.5 1.0 SD A:MET107 4.3 33.1 0.5 CE1 A:PHE56 4.3 36.4 1.0 CB A:PHE56 4.3 35.5 1.0 CG A:LEU58 4.3 41.9 1.0 CG2 A:ILE71 4.4 56.1 1.0 C3 A:Z80201 4.5 58.7 0.8 CG2 A:VAL41 4.6 34.0 1.0 CE2 A:PHE105 4.8 21.5 1.0 CG A:MET107 4.9 31.5 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