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Zinc in PDB 4f1a: Human Insulin

Protein crystallography data

The structure of Human Insulin, PDB code: 4f1a 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) 24.39 / 1.80
Space group H 3
Cell size a, b, c (Å), α, β, γ (°) 81.520, 81.520, 33.740, 90.00, 90.00, 120.00
R / Rfree (%) 16.6 / 21.3

Other elements in 4f1a:

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

Chlorine (Cl) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc atom in the Human Insulin (pdb code 4f1a). 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: 4f1a:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 4f1a

Go back to Zinc Binding Sites List in 4f1a
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:13.2
occ:0.25
NE2 B:HIS10 2.1 13.3 1.0
O B:HOH214 2.5 20.4 1.0
CD2 B:HIS10 3.1 13.3 1.0
CE1 B:HIS10 3.1 13.9 1.0
CL B:CL102 3.6 45.2 0.2
ND1 B:HIS10 4.3 14.7 1.0
CG B:HIS10 4.3 12.9 1.0
O D:HOH207 5.0 17.8 0.3
O B:HOH204 5.0 21.6 1.0

Zinc binding site 2 out of 2 in 4f1a

Go back to Zinc Binding Sites List in 4f1a
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:13.1
occ:0.33
NE2 D:HIS10 2.0 10.2 1.0
CL D:CL102 2.6 77.7 0.3
O D:HOH219 2.8 39.9 1.0
CE1 D:HIS10 3.0 11.9 1.0
CD2 D:HIS10 3.1 11.5 1.0
ND1 D:HIS10 4.1 13.3 1.0
CG D:HIS10 4.2 11.2 1.0
O D:HOH216 4.4 38.1 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: Wed Dec 16 05:16:39 2020

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