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Chlorine in PDB 4f4v: Human Insulin

Protein crystallography data

The structure of Human Insulin, PDB code: 4f4v 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) 24.43 / 1.64
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 81.970, 81.970, 33.690, 90.00, 90.00, 120.00
R / Rfree (%) 20.9 / 26.4

Other elements in 4f4v:

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 4f4v). 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: 4f4v:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4f4v

Go back to Chlorine Binding Sites List in 4f4v
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:45.3
occ:0.33
ZN B:ZN101 2.9 17.4 0.3
NE2 B:HIS10 4.1 13.7 1.0
CD2 B:HIS10 4.5 13.5 1.0

Chlorine binding site 2 out of 2 in 4f4v

Go back to Chlorine Binding Sites List in 4f4v
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:40.4
occ:0.33
O D:HOH227 2.5 35.1 1.0
ZN D:ZN101 2.7 16.3 0.3
O D:HOH216 3.4 34.0 1.0
NE2 D:HIS10 4.1 13.5 1.0
CD2 D:HIS10 4.4 9.9 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 10:36:28 2020

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