Zinc in PDB 1xda: Structure of Insulin

The structure of Structure of Insulin, PDB code: 1xda was solved by J.L.Whittingham, S.Havelund, I.Jonassen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.752, 78.752, 79.199, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / n/a

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

Chlorine

(Cl)

4 atoms

The binding sites of Zinc atom in the Structure of Insulin (pdb code 1xda). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 4 binding sites of Zinc where determined in the Structure of Insulin, PDB code: 1xda:
Jump to Zinc binding site number: 1; 2; 3; 4;

Zinc binding site 1 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn30 b:10.7 occ:0.33 NE2 B:HIS10 2.0 10.2 1.0 CL B:CL31 2.2 12.2 0.3 CD2 B:HIS10 3.0 9.3 1.0 CE1 B:HIS10 3.0 13.9 1.0 CG B:HIS10 4.1 11.9 1.0 ND1 B:HIS10 4.2 13.0 1.0 CB B:LEU6 4.8 9.5 1.0 O B:LEU6 4.9 10.5 1.0

Zinc binding site 2 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn30 b:12.3 occ:0.33 NE2 D:HIS10 1.9 14.0 1.0 CL D:CL31 2.2 11.4 0.3 CE1 D:HIS10 2.9 14.7 1.0 CD2 D:HIS10 3.0 13.4 1.0 ND1 D:HIS10 4.1 15.3 1.0 CG D:HIS10 4.1 12.1 1.0 O D:LEU6 4.8 13.4 1.0 CB D:LEU6 4.8 11.7 1.0

Zinc binding site 3 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ F:Zn30 b:12.0 occ:0.33 NE2 F:HIS10 2.0 14.2 1.0 CL F:CL31 2.1 13.9 0.3 CE1 F:HIS10 2.9 15.4 1.0 CD2 F:HIS10 3.0 12.8 1.0 ND1 F:HIS10 4.1 15.2 1.0 CG F:HIS10 4.1 12.2 1.0 O F:LEU6 4.7 14.3 1.0 CB F:LEU6 4.8 12.2 1.0

Zinc binding site 4 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 4 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ H:Zn30 b:14.7 occ:0.33 NE2 H:HIS10 2.0 14.8 1.0 CL H:CL31 2.2 15.9 0.3 CE1 H:HIS10 2.9 16.9 1.0 CD2 H:HIS10 3.0 12.0 1.0 ND1 H:HIS10 4.1 16.9 1.0 CG H:HIS10 4.1 14.6 1.0 CB H:LEU6 4.8 12.5 1.0 O H:LEU6 4.8 12.8 1.0

J.L.Whittingham, S.Havelund, I.Jonassen. Crystal Structure of A Prolonged-Acting Insulin with Albumin-Binding Properties. Biochemistry V. 36 2826 1997.
ISSN: ISSN 0006-2960
PubMed: 9062110
DOI: 10.1021/BI9625105