Chlorine in PDB 4gbl: Crystal Structure of Aspart Insulin at pH 8.5

The structure of Crystal Structure of Aspart Insulin at pH 8.5, PDB code: 4gbl was solved by L.M.T.R.Lima, M.P.Favero-Retto, L.C.Palmieri, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	39.29 / 2.50
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.570, 78.570, 37.730, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 26.2

The structure of Crystal Structure of Aspart Insulin at pH 8.5 also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Crystal Structure of Aspart Insulin at pH 8.5 (pdb code 4gbl). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Aspart Insulin at pH 8.5, PDB code: 4gbl:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Aspart Insulin at pH 8.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of Aspart Insulin at pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:34.2 occ:0.33 ZN B:ZN101 1.7 60.2 0.3 NE2 B:HIS10 2.9 28.2 1.0 CD2 B:HIS10 3.5 38.7 1.0 CE1 B:HIS10 4.0 43.6 1.0 O B:LEU6 4.5 64.5 1.0 CB B:LEU6 4.5 53.2 1.0 CD1 B:LEU6 4.7 46.6 1.0 CG B:HIS10 4.8 40.0 1.0 C B:LEU6 5.0 54.0 1.0 ND1 B:HIS10 5.0 39.5 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Aspart Insulin at pH 8.5


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Aspart Insulin at pH 8.5 within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:68.0 occ:0.33 ZN D:ZN101 3.7 75.4 0.3 NE2 D:HIS10 5.0 44.4 1.0

L.C.Palmieri, M.P.Favero-Retto, D.Lourenco, L.M.Lima. A T3R3 Hexamer of the Human Insulin Variant B28ASP. Biophys.Chem. V. 173 1 2013.
ISSN: ISSN 0301-4622
PubMed: 23428413
DOI: 10.1016/J.BPC.2013.01.003