Chlorine in PDB 3mth: X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol

The structure of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol, PDB code: 3mth was solved by J.L.Whittingham, E.J.Dodson, P.C.E.Moody, G.G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.90
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	80.380, 80.380, 37.000, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol (pdb code 3mth). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol, PDB code: 3mth:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl32 b:15.0 occ:0.33 ZN B:ZN31 2.3 14.5 0.3 NE2 B:HIS10 3.6 19.0 1.0 CD2 B:HIS10 4.1 15.8 1.0 CB B:LEU6 4.2 18.5 1.0 CG B:LEU6 4.3 20.2 1.0 CD2 B:LEU6 4.3 20.2 1.0 CE1 B:HIS10 4.8 19.2 1.0 O B:LEU6 4.8 18.3 1.0 C B:LEU6 4.9 17.5 1.0

Chlorine binding site 2 out of 2 in the X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben and Phenol within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl32 b:29.1 occ:0.33 ZN D:ZN31 2.4 16.9 0.3 NE2 D:HIS10 3.7 17.3 1.0 CD2 D:HIS10 4.0 16.5 1.0 O D:HOH57 4.7 51.2 1.0 CE1 D:HIS10 4.9 16.7 1.0

J.L.Whittingham, S.Chaudhuri, E.J.Dodson, P.C.Moody, G.G.Dodson. X-Ray Crystallographic Studies on Hexameric Insulins in the Presence of Helix-Stabilizing Agents, Thiocyanate, Methylparaben, and Phenol. Biochemistry V. 34 15553 1995.
ISSN: ISSN 0006-2960
PubMed: 7492558
DOI: 10.1021/BI00047A022