Chlorine in PDB 5num: Engineered Beta-Lactoglobulin: Variant F105L-L39A in Complex with Chlorpromazine (Lg-La-Clp)

The structure of Engineered Beta-Lactoglobulin: Variant F105L-L39A in Complex with Chlorpromazine (Lg-La-Clp), PDB code: 5num 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)	14.82 / 2.30
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	53.328, 53.328, 110.003, 90.00, 90.00, 120.00
R / Rfree (%)	21.9 / 28.9

The binding sites of Chlorine atom in the Engineered Beta-Lactoglobulin: Variant F105L-L39A in Complex with Chlorpromazine (Lg-La-Clp) (pdb code 5num). 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 F105L-L39A in Complex with Chlorpromazine (Lg-La-Clp), PDB code: 5num:

Chlorine binding site 1 out of 1 in the Engineered Beta-Lactoglobulin: Variant F105L-L39A in Complex with Chlorpromazine (Lg-La-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 in Complex with Chlorpromazine (Lg-La-Clp) within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl201 b:64.9 occ:0.90 CL1 A:Z80201 0.0 64.9 0.9 C10 A:Z80201 1.7 54.0 0.9 C9 A:Z80201 2.7 52.5 0.9 C11 A:Z80201 2.7 51.8 0.9 CB A:SER116 4.0 38.6 1.0 CD1 A:LEU31 4.0 28.9 1.0 C8 A:Z80201 4.0 54.8 0.9 C4 A:Z80201 4.0 51.3 0.9 N A:ALA118 4.1 26.7 1.0 N A:LEU117 4.1 31.8 1.0 CB A:ALA39 4.1 29.8 1.0 C A:SER116 4.1 35.1 1.0 CB A:ALA118 4.3 26.9 1.0 CD2 A:LEU31 4.3 29.5 1.0 O A:SER116 4.4 33.7 1.0 C A:LEU117 4.4 28.8 1.0 O A:MET107 4.5 38.0 1.0 CA A:LEU117 4.5 30.2 1.0 C3 A:Z80201 4.5 50.9 0.9 CA A:SER116 4.6 37.0 1.0 CG A:LEU31 4.7 28.6 1.0 OG A:SER116 4.8 43.0 1.0 CA A:ALA118 4.8 28.0 1.0 O A:LEU117 4.9 29.8 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