Chlorine in PDB 2ws6: Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form

The structure of Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form, PDB code: 2ws6 was solved by A.M.Brzozowski, J.Jiracek, L.Zakova, E.Antolikova, C.J.Watson, J.P.Turkenburg, G.G.Dodson, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 1.50
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	58.962, 61.927, 47.297, 90.00, 111.90, 90.00
R / Rfree (%)	15.002 / 19.951

The structure of Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form also contains other interesting chemical elements:

Zinc

(Zn)

2 atoms

The binding sites of Chlorine atom in the Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form (pdb code 2ws6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form, PDB code: 2ws6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl1029 b:10.4 occ:1.00 ZN J:ZN1030 2.2 11.0 1.0 NE2 J:HIS10 3.5 9.3 1.0 NE2 B:HIS10 3.6 8.9 1.0 NE2 F:HIS10 3.6 9.6 1.0 CB J:LEU6 3.9 13.1 1.0 CB F:LEU6 3.9 11.5 1.0 CD2 J:HIS10 4.0 9.9 1.0 CD2 B:HIS10 4.0 9.3 1.0 CB B:LEU6 4.1 9.8 1.0 CD2 F:HIS10 4.1 9.4 1.0 CD1 J:LEU6 4.1 17.1 1.0 CD1 B:LEU6 4.2 13.7 1.0 CD1 F:LEU6 4.3 14.5 1.0 CG J:LEU6 4.5 14.7 1.0 CE1 J:HIS10 4.6 10.6 1.0 CG B:LEU6 4.6 10.6 1.0 CE1 F:HIS10 4.7 10.4 1.0 CE1 B:HIS10 4.7 11.5 1.0 CG F:LEU6 4.7 13.0 1.0 O F:LEU6 4.8 13.2 1.0 C F:LEU6 4.8 11.9 1.0 CA F:LEU6 4.9 10.5 1.0 CD2 B:LEU6 5.0 14.1 1.0 C J:LEU6 5.0 9.5 1.0 O J:LEU6 5.0 11.3 1.0 CA J:LEU6 5.0 10.8 1.0

Chlorine binding site 2 out of 2 in the Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Semi-Synthetic Analogue of Human Insulin NMETYRB26-Insulin in Hexamer Form within 5.0Å range: probe atom residue distance (Å) B Occ L:Cl1028 b:11.6 occ:1.00 ZN L:ZN1029 2.2 10.5 1.0 O H:HOH2002 3.4 32.2 1.0 NE2 D:HIS10 3.5 9.8 1.0 NE2 H:HIS10 3.6 9.3 1.0 NE2 L:HIS10 3.6 8.5 1.0 CD2 D:HIS10 3.9 9.2 1.0 CB D:LEU6 3.9 10.7 1.0 CB L:LEU6 3.9 12.3 1.0 CD1 L:LEU6 3.9 19.1 1.0 CD2 L:HIS10 4.0 8.3 1.0 CB H:LEU6 4.0 10.5 1.0 CD1 H:LEU6 4.0 16.8 1.0 CD2 H:HIS10 4.1 8.4 1.0 CG L:LEU6 4.3 15.9 1.0 CD1 D:LEU6 4.4 14.2 1.0 CD2 L:LEU6 4.5 19.6 1.0 CE1 H:HIS10 4.6 15.5 1.0 CE1 D:HIS10 4.6 10.7 1.0 CG H:LEU6 4.7 13.5 1.0 O H:HOH2003 4.7 29.4 1.0 CG D:LEU6 4.7 11.9 1.0 C D:LEU6 4.7 9.6 1.0 O D:LEU6 4.8 10.3 1.0 CE1 L:HIS10 4.8 9.1 1.0 CA D:LEU6 4.9 10.6 1.0 CA L:LEU6 5.0 10.2 1.0

J.Jiracek, L.Zakova, E.Antolikova, C.J.Watson, J.P.Turkenburg, G.G.Dodson, A.M.Brzozowski. Implications For the Active Form of Human Insulin Based on the Structural Convergence of Highly Active Hormone Analogues. Proc.Natl.Acad.Sci.Usa V. 107 1966 2010.
ISSN: ISSN 0027-8424
PubMed: 20133841
DOI: 10.1073/PNAS.0911785107