Zinc in PDB 4exx: Human Insulin

The structure of Human Insulin, PDB code: 4exx 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)	15.47 / 1.55
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	80.840, 80.840, 33.120, 90.00, 90.00, 120.00
R / Rfree (%)	17.2 / 26.3

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 4exx). 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: 4exx:
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:17.8 occ:0.25 NE2 B:HIS10 1.9 19.0 1.0 CL B:CL102 2.8 37.8 0.2 CE1 B:HIS10 2.8 21.5 1.0 CD2 B:HIS10 3.1 19.0 1.0 ND1 B:HIS10 4.0 21.9 1.0 CG B:HIS10 4.1 19.1 1.0 O B:HOH231 4.7 47.8 1.0 O B:HOH204 5.0 29.9 1.0 O D:HOH232 5.0 38.6 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:20.3 occ:0.33 NE2 D:HIS10 2.0 18.0 1.0 CL D:CL102 2.6 69.4 0.3 CE1 D:HIS10 2.9 20.6 1.0 CD2 D:HIS10 3.2 16.8 1.0 O D:HOH225 3.9 39.2 1.0 O D:HOH208 4.0 41.8 1.0 ND1 D:HIS10 4.1 21.9 1.0 CG D:HIS10 4.2 19.8 1.0 O D:HOH205 4.6 30.8 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