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

Protein crystallography data

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

Other elements in 2ws6:

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

Zinc (Zn) 2 atoms

Chlorine Binding Sites:

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 2ws6

Go back to Chlorine Binding Sites List in 2ws6
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 2ws6

Go back to Chlorine Binding Sites List in 2ws6
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

Reference:

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
Page generated: Sat Dec 12 09:24:13 2020

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