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Chlorine in PDB 4ex1: Human Insulin

Protein crystallography data

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

Other elements in 4ex1:

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

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

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

Chlorine binding site 1 out of 2 in 4ex1

Go back to Chlorine Binding Sites List in 4ex1
Chlorine binding site 1 out of 2 in the Human Insulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Insulin within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl102

b:32.8
occ:0.25
ZN B:ZN101 2.9 14.0 0.2
O B:HOH233 3.6 33.8 1.0
NE2 B:HIS10 4.1 17.8 1.0
CD2 B:HIS10 4.4 16.6 1.0

Chlorine binding site 2 out of 2 in 4ex1

Go back to Chlorine Binding Sites List in 4ex1
Chlorine binding site 2 out of 2 in the Human Insulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Insulin within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl102

b:44.5
occ:0.30
ZN D:ZN101 2.3 16.8 0.3
O D:HOH222 2.7 27.4 1.0
O D:HOH206 3.3 34.1 1.0
NE2 D:HIS10 3.3 15.0 1.0
CD2 D:HIS10 3.9 15.5 1.0
CE1 D:HIS10 4.5 16.4 1.0

Reference:

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
Page generated: Sat Dec 12 10:35:59 2020

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