Chlorine 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:

Zinc

(Zn)

2 atoms

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

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Cross-Linked B28 Asp Insulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl55 b:15.9 occ:1.00 ZN B:ZN54 2.2 12.3 1.0 O F:HOH72 3.3 38.7 1.0 NE2 B:HIS10 3.4 12.0 1.0 NE2 F:HIS10 3.4 14.0 1.0 NE2 D:HIS10 3.5 10.3 1.0 CD2 D:HIS10 4.0 13.1 1.0 CD2 F:HIS10 4.0 11.5 1.0 CB F:LEU6 4.0 12.9 1.0 CB D:LEU6 4.1 11.5 1.0 CD2 B:HIS10 4.2 11.7 1.0 CB B:LEU6 4.2 14.3 1.0 CG B:LEU6 4.3 20.5 1.0 O F:HOH95 4.4 40.7 1.0 CE1 D:HIS10 4.4 15.2 1.0 CD2 B:LEU6 4.4 21.8 1.0 CE1 B:HIS10 4.5 15.2 1.0 CD1 F:LEU6 4.5 18.2 1.0 CD1 D:LEU6 4.5 19.6 1.0 CE1 F:HIS10 4.7 17.6 1.0 CG D:LEU6 4.7 17.1 1.0 CG F:LEU6 4.8 13.9 1.0 O B:LEU6 4.9 10.9 1.0 O D:LEU6 4.9 13.6 1.0 C F:LEU6 4.9 10.7 1.0 O F:LEU6 4.9 12.1 1.0 CD2 D:LEU6 5.0 24.3 1.0 C B:LEU6 5.0 11.3 1.0

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


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Cross-Linked B28 Asp Insulin within 5.0Å range: probe atom residue distance (Å) B Occ C:Cl55 b:19.5 occ:1.00 ZN C:ZN54 2.2 14.0 1.0 NE2 C:HIS10 3.2 4.8 1.0 NE2 E:HIS10 3.5 11.9 1.0 NE2 A:HIS10 3.6 14.0 1.0 CD2 C:HIS10 3.7 6.6 1.0 O C:HOH72 3.8 41.6 1.0 CD2 E:HIS10 3.9 14.5 1.0 CB A:LEU6 4.0 23.0 1.0 CD2 A:HIS10 4.0 15.3 1.0 CB E:LEU6 4.1 21.5 1.0 CG C:LEU6 4.1 23.4 1.0 CB C:LEU6 4.1 15.3 1.0 CD1 A:LEU6 4.2 26.5 1.0 CE1 C:HIS10 4.4 19.5 1.0 CG E:LEU6 4.5 22.7 1.0 CD2 E:LEU6 4.6 29.1 1.0 CE1 E:HIS10 4.6 14.6 1.0 CG A:LEU6 4.7 24.6 1.0 O A:LEU6 4.7 17.4 1.0 CE1 A:HIS10 4.7 16.7 1.0 CD2 C:LEU6 4.8 29.1 1.0 CD1 C:LEU6 4.8 23.9 1.0 O E:LEU6 4.9 12.8 1.0 O C:LEU6 4.9 15.6 1.0 C A:LEU6 4.9 18.1 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