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Chlorine in PDB 4f0n: Human Insulin

Protein crystallography data

The structure of Human Insulin, PDB code: 4f0n 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) 41.08 / 1.68
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 82.170, 82.170, 33.730, 90.00, 90.00, 120.00
R / Rfree (%) 21.4 / 26.4

Other elements in 4f0n:

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 4f0n). 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: 4f0n:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4f0n

Go back to Chlorine Binding Sites List in 4f0n
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:35.5
occ:0.25
ZN B:ZN101 2.9 18.7 0.2
NE2 B:HIS10 4.1 19.2 1.0
CD2 B:HIS10 4.4 18.5 1.0

Chlorine binding site 2 out of 2 in 4f0n

Go back to Chlorine Binding Sites List in 4f0n
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:61.3
occ:0.30
ZN D:ZN101 2.4 18.3 0.3
O D:HOH230 2.7 37.8 1.0
O D:HOH208 3.6 35.7 1.0
NE2 D:HIS10 3.9 15.5 1.0
CD2 D:HIS10 4.3 15.8 1.0
CE1 D:HIS10 5.0 16.7 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.
PubMed: 23692694
DOI: 10.1016/J.EJPB.2013.05.005
Page generated: Sat Dec 12 10:36:10 2020

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