Zinc in PDB 4ex1: Human Insulin

The structure of Human Insulin, PDB code: 4ex1 was solved by M.P.Favero-Retto, L.C.Palmieri, L.M.T.R.Lima, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.33 / 1.66
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	80.670, 80.670, 33.210, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 23.9

The structure of Human Insulin also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Human Insulin (pdb code 4ex1). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Human Insulin, PDB code: 4ex1:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Human Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Human Insulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:14.0 occ:0.25 NE2 B:HIS10 2.0 17.8 1.0 CE1 B:HIS10 2.9 16.7 1.0 CL B:CL102 2.9 32.8 0.2 CD2 B:HIS10 3.0 16.6 1.0 O B:HOH233 3.9 33.8 1.0 ND1 B:HIS10 4.0 18.0 1.0 CG B:HIS10 4.1 15.0 1.0 O B:HOH206 4.7 25.7 1.0 OG B:SER9 4.9 21.3 1.0

Zinc binding site 2 out of 2 in the Human Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Human Insulin within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn101 b:16.8 occ:0.33 NE2 D:HIS10 2.1 15.0 1.0 CL D:CL102 2.3 44.5 0.3 CE1 D:HIS10 2.9 16.4 1.0 CD2 D:HIS10 3.3 15.5 1.0 O D:HOH206 4.0 34.1 1.0 O D:HOH222 4.1 27.4 1.0 ND1 D:HIS10 4.2 18.2 1.0 CG D:HIS10 4.3 16.0 1.0 O D:HOH203 4.5 26.6 1.0

M.P.Favero-Retto, L.C.Palmieri, T.A.Souza, F.C.Almeida, L.M.Lima. Structural Meta-Analysis of Regular Human Insulin in Pharmaceutical Formulations. Eur J Pharm Biopharm V. 85 1112 2013.
ISSN: ISSN 0939-6411
PubMed: 23692694
DOI: 10.1016/J.EJPB.2013.05.005