Zinc in PDB 6tyh: Four-Disulfide Insulin Analog A22/B22

The structure of Four-Disulfide Insulin Analog A22/B22, PDB code: 6tyh was solved by A.D.Blakely, X.Xiong, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	35.60 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.231, 61.821, 60.468, 90.00, 112.81, 90.00
R / Rfree (%)	16.2 / 19.6

The structure of Four-Disulfide Insulin Analog A22/B22 also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Four-Disulfide Insulin Analog A22/B22 (pdb code 6tyh). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Four-Disulfide Insulin Analog A22/B22, PDB code: 6tyh:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Four-Disulfide Insulin Analog A22/B22


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Four-Disulfide Insulin Analog A22/B22 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn101 b:20.0 occ:1.00 NE2 B:HIS10 2.0 22.6 1.0 NE2 F:HIS10 2.0 20.5 1.0 NE2 L:HIS10 2.1 19.5 1.0 CL B:CL102 2.2 22.4 1.0 CE1 B:HIS10 2.9 24.9 1.0 CE1 F:HIS10 3.0 24.1 1.0 CD2 F:HIS10 3.0 22.0 1.0 CD2 B:HIS10 3.0 22.6 1.0 CE1 L:HIS10 3.0 26.7 1.0 CD2 L:HIS10 3.1 16.4 1.0 ND1 B:HIS10 4.1 25.5 1.0 ND1 F:HIS10 4.1 21.4 1.0 CG F:HIS10 4.1 21.2 1.0 CG B:HIS10 4.1 19.6 1.0 ND1 L:HIS10 4.1 26.7 1.0 CG L:HIS10 4.2 16.0 1.0 O B:LEU6 4.6 20.2 1.0 O F:LEU6 4.6 23.3 1.0 CB B:LEU6 4.7 20.9 1.0 O L:LEU6 4.9 21.7 1.0 CB F:LEU6 4.9 26.3 1.0 CB L:LEU6 5.0 20.8 1.0

Zinc binding site 2 out of 2 in the Four-Disulfide Insulin Analog A22/B22


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Four-Disulfide Insulin Analog A22/B22 within 5.0Å range: probe atom residue distance (Å) B Occ D:Zn101 b:18.3 occ:1.00 NE2 D:HIS10 2.0 22.6 1.0 NE2 H:HIS10 2.0 19.2 1.0 NE2 J:HIS10 2.0 20.1 1.0 CL H:CL101 2.2 20.1 1.0 CE1 H:HIS10 3.0 21.5 1.0 CE1 D:HIS10 3.0 25.9 1.0 CD2 J:HIS10 3.0 17.5 1.0 CD2 D:HIS10 3.0 20.6 1.0 CD2 H:HIS10 3.0 19.0 1.0 CE1 J:HIS10 3.0 24.4 1.0 ND1 D:HIS10 4.1 23.9 1.0 ND1 H:HIS10 4.1 22.2 1.0 ND1 J:HIS10 4.1 22.0 1.0 CG D:HIS10 4.2 17.2 1.0 CG H:HIS10 4.2 18.7 1.0 CG J:HIS10 4.2 18.3 1.0 O J:LEU6 4.7 20.1 1.0 O H:LEU6 4.8 19.9 1.0 O D:LEU6 4.8 19.9 1.0 CB J:LEU6 4.8 16.6 1.0 O D:HOH208 4.9 39.9 1.0 CB H:LEU6 4.9 20.4 1.0 O H:HOH204 4.9 32.7 1.0 CB D:LEU6 5.0 20.4 1.0

X.Xiong, A.D.Blakely. Novel Four-Disulfide Insulin Analog with High Aggregation Stability and Potency Chem Sci 2019.
ISSN: ESSN 2041-6539
DOI: 10.1039/C9SC04555D