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Chlorine in PDB 2ws7: Semi-Synthetic Analogue of Human Insulin PROB26-Dti

Protein crystallography data

The structure of Semi-Synthetic Analogue of Human Insulin PROB26-Dti, PDB code: 2ws7 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) 57.26 / 2.59
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 62.451, 66.511, 57.297, 90.00, 90.00, 90.00
R / Rfree (%) 20.853 / 33.16

Other elements in 2ws7:

The structure of Semi-Synthetic Analogue of Human Insulin PROB26-Dti 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 PROB26-Dti (pdb code 2ws7). 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 PROB26-Dti, PDB code: 2ws7:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 2ws7

Go back to Chlorine Binding Sites List in 2ws7
Chlorine binding site 1 out of 2 in the Semi-Synthetic Analogue of Human Insulin PROB26-Dti


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 PROB26-Dti within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1021

b:14.6
occ:1.00
ZN B:ZN1020 2.1 18.5 1.0
NE2 J:HIS10 3.3 7.8 1.0
NE2 F:HIS10 3.4 16.3 1.0
NE2 B:HIS10 3.5 13.4 1.0
CD2 J:HIS10 3.8 7.8 1.0
CB B:LEU6 3.9 15.1 1.0
CB F:LEU6 3.9 18.4 1.0
CB J:LEU6 4.0 20.2 1.0
CD2 B:HIS10 4.0 14.1 1.0
CD2 F:HIS10 4.1 16.6 1.0
CD1 F:LEU6 4.1 14.4 1.0
CD1 J:LEU6 4.2 17.4 1.0
CE1 F:HIS10 4.3 16.1 1.0
CD1 B:LEU6 4.3 7.1 1.0
CE1 J:HIS10 4.4 7.5 1.0
CG J:LEU6 4.6 19.1 1.0
CG F:LEU6 4.6 17.1 1.0
CE1 B:HIS10 4.6 13.2 1.0
CG B:LEU6 4.6 12.3 1.0
O J:LEU6 4.7 20.5 1.0
C J:LEU6 4.9 20.4 1.0
C B:LEU6 4.9 16.1 1.0
C F:LEU6 4.9 18.9 1.0
CA F:LEU6 4.9 18.9 1.0
CA J:LEU6 4.9 20.5 1.0
CA B:LEU6 4.9 16.1 1.0
O B:LEU6 5.0 15.6 1.0
O F:LEU6 5.0 19.0 1.0

Chlorine binding site 2 out of 2 in 2ws7

Go back to Chlorine Binding Sites List in 2ws7
Chlorine binding site 2 out of 2 in the Semi-Synthetic Analogue of Human Insulin PROB26-Dti


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 PROB26-Dti within 5.0Å range:
probe atom residue distance (Å) B Occ
D:Cl1025

b:11.2
occ:1.00
ZN D:ZN1024 2.1 16.5 1.0
NE2 H:HIS10 3.1 9.4 1.0
NE2 L:HIS10 3.3 14.2 1.0
NE2 D:HIS10 3.3 14.3 1.0
CD2 H:HIS10 3.7 6.9 1.0
CD2 D:HIS10 3.8 13.3 1.0
CD2 L:HIS10 3.9 13.7 1.0
CB D:LEU6 3.9 11.7 1.0
CB H:LEU6 4.0 11.2 1.0
CG D:LEU6 4.1 10.1 1.0
CB L:LEU6 4.1 15.6 1.0
CD1 L:LEU6 4.2 16.5 1.0
CE1 H:HIS10 4.2 7.9 1.0
CD1 H:LEU6 4.4 12.5 1.0
CE1 L:HIS10 4.4 13.7 1.0
CD2 D:LEU6 4.4 8.6 1.0
CE1 D:HIS10 4.5 12.0 1.0
CG H:LEU6 4.5 10.9 1.0
CD2 H:LEU6 4.6 10.6 1.0
O H:LEU6 4.6 12.4 1.0
O D:LEU6 4.7 13.4 1.0
C D:LEU6 4.7 12.7 1.0
CG L:LEU6 4.8 15.6 1.0
CA D:LEU6 4.8 12.4 1.0
C H:LEU6 4.8 12.1 1.0
CA H:LEU6 4.9 11.9 1.0
C L:LEU6 4.9 14.8 1.0
O L:LEU6 4.9 14.3 1.0
CG H:HIS10 4.9 7.8 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 Jul 20 13:15:57 2024

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