Zinc in PDB 1zei: Cross-Linked B28 Asp Insulin

The structure of Cross-Linked B28 Asp Insulin, PDB code: 1zei was solved by J.L.Whittingham, E.J.Edwards, A.A.Antson, J.M.Clarkson, G.G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	53.952, 64.772, 48.914, 90.00, 109.81, 90.00
R / Rfree (%)	17.6 / 23.2

The structure of Cross-Linked B28 Asp Insulin also contains other interesting chemical elements:

Chlorine

(Cl)

2 atoms

The binding sites of Zinc atom in the Cross-Linked B28 Asp Insulin (pdb code 1zei). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Cross-Linked B28 Asp Insulin, PDB code: 1zei:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Cross-Linked B28 Asp Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Cross-Linked B28 Asp Insulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn54 b:12.3 occ:1.00 NE2 F:HIS10 1.9 14.0 1.0 NE2 B:HIS10 2.0 12.0 1.0 NE2 D:HIS10 2.1 10.3 1.0 CL B:CL55 2.2 15.9 1.0 CE1 D:HIS10 2.9 15.2 1.0 CE1 B:HIS10 2.9 15.2 1.0 CE1 F:HIS10 3.0 17.6 1.0 CD2 F:HIS10 3.0 11.5 1.0 CD2 D:HIS10 3.1 13.1 1.0 CD2 B:HIS10 3.3 11.7 1.0 ND1 D:HIS10 4.1 13.8 1.0 CG D:HIS10 4.1 12.1 1.0 CG F:HIS10 4.2 13.6 1.0 ND1 F:HIS10 4.2 16.9 1.0 ND1 B:HIS10 4.2 16.1 1.0 CG B:HIS10 4.4 14.6 1.0 O B:HOH68 4.9 36.5 1.0 O D:LEU6 4.9 13.6 1.0 O F:LEU6 5.0 12.1 1.0 O B:LEU6 5.0 10.9 1.0

Zinc binding site 2 out of 2 in the Cross-Linked B28 Asp Insulin


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Cross-Linked B28 Asp Insulin within 5.0Å range: probe atom residue distance (Å) B Occ C:Zn54 b:14.0 occ:1.00 NE2 C:HIS10 1.6 4.8 1.0 NE2 E:HIS10 2.0 11.9 1.0 NE2 A:HIS10 2.1 14.0 1.0 CL C:CL55 2.2 19.5 1.0 CE1 C:HIS10 2.7 19.5 1.0 CD2 C:HIS10 2.7 6.6 1.0 CE1 E:HIS10 2.9 14.6 1.0 CD2 E:HIS10 3.0 14.5 1.0 CD2 A:HIS10 3.0 15.3 1.0 CE1 A:HIS10 3.1 16.7 1.0 ND1 C:HIS10 3.9 13.5 1.0 CG C:HIS10 3.9 11.6 1.0 ND1 E:HIS10 4.0 14.2 1.0 CG E:HIS10 4.1 11.8 1.0 ND1 A:HIS10 4.2 17.2 1.0 CG A:HIS10 4.2 14.7 1.0 O A:LEU6 4.7 17.4 1.0 O E:HOH91 4.8 56.5 1.0 O E:LEU6 4.9 12.8 1.0 O E:HOH84 4.9 37.0 1.0 O C:LEU6 4.9 15.6 1.0

J.L.Whittingham, D.J.Edwards, A.A.Antson, J.M.Clarkson, G.G.Dodson. Interactions of Phenol and M-Cresol in the Insulin Hexamer, and Their Effect on the Association Properties of B28 Pro --> Asp Insulin Analogues. Biochemistry V. 37 11516 1998.
ISSN: ISSN 0006-2960
PubMed: 9708987
DOI: 10.1021/BI980807S