Chlorine in PDB 1zeg: Structure of B28 Asp Insulin in Complex with Phenol

The structure of Structure of B28 Asp Insulin in Complex with Phenol, PDB code: 1zeg 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)	14.70 / 1.60
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	77.730, 77.730, 39.160, 90.00, 90.00, 120.00
R / Rfree (%)	14.5 / 19.2

The structure of Structure of B28 Asp Insulin in Complex with Phenol also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

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

Chlorine binding site 1 out of 2 in the Structure of B28 Asp Insulin in Complex with Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of B28 Asp Insulin in Complex with Phenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl32 b:12.9 occ:0.33 ZN B:ZN31 2.3 10.7 0.3 NE2 B:HIS10 3.7 14.7 1.0 CB B:LEU6 3.8 13.7 1.0 O B:HOH34 4.0 51.6 0.3 CD2 B:HIS10 4.0 10.9 1.0 CD1 B:LEU6 4.0 18.2 1.0 CG B:LEU6 4.5 15.4 1.0 CE1 B:HIS10 4.8 16.2 1.0 CA B:LEU6 4.9 11.4 1.0 C B:LEU6 4.9 11.5 1.0 O B:LEU6 4.9 12.1 1.0

Chlorine binding site 2 out of 2 in the Structure of B28 Asp Insulin in Complex with Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of B28 Asp Insulin in Complex with Phenol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl32 b:11.7 occ:0.33 ZN D:ZN31 2.3 10.5 0.3 NE2 D:HIS10 3.5 13.5 1.0 CB D:LEU6 3.9 12.6 1.0 CD2 D:HIS10 3.9 10.7 1.0 CD1 D:LEU6 4.1 18.8 1.0 O D:HOH34 4.3 39.0 0.3 CG D:LEU6 4.4 15.6 1.0 CE1 D:HIS10 4.5 15.1 1.0 CD2 D:LEU6 4.7 19.6 1.0 O D:LEU6 4.7 12.6 1.0 CA D:LEU6 4.8 11.7 1.0 C D:LEU6 4.9 11.9 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