Chlorine in PDB 1xda: Structure of Insulin

The structure of Structure of Insulin, PDB code: 1xda was solved by J.L.Whittingham, S.Havelund, I.Jonassen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	15.00 / 1.80
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.752, 78.752, 79.199, 90.00, 90.00, 120.00
R / Rfree (%)	17.4 / n/a

The structure of Structure of Insulin also contains other interesting chemical elements:

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Structure of Insulin (pdb code 1xda). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Structure of Insulin, PDB code: 1xda:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl31 b:12.2 occ:0.33 ZN B:ZN30 2.2 10.7 0.3 NE2 B:HIS10 3.5 10.2 1.0 CB B:LEU6 3.8 9.5 1.0 CD2 B:HIS10 3.9 9.3 1.0 CD1 B:LEU6 4.0 13.1 1.0 CG B:LEU6 4.5 12.8 1.0 CE1 B:HIS10 4.6 13.9 1.0 CA B:LEU6 4.9 10.5 1.0 O B:LEU6 4.9 10.5 1.0 C B:LEU6 4.9 10.7 1.0

Chlorine binding site 2 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl31 b:11.4 occ:0.33 ZN D:ZN30 2.2 12.3 0.3 NE2 D:HIS10 3.4 14.0 1.0 O D:HOH53 3.8 35.3 0.3 CB D:LEU6 3.8 11.7 1.0 CD2 D:HIS10 4.0 13.4 1.0 CD1 D:LEU6 4.1 14.2 1.0 CG D:LEU6 4.6 13.0 1.0 CE1 D:HIS10 4.6 14.7 1.0 O D:LEU6 4.9 13.4 1.0 C D:LEU6 4.9 12.6 1.0 CA D:LEU6 4.9 9.9 1.0

Chlorine binding site 3 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl31 b:13.9 occ:0.33 ZN F:ZN30 2.1 12.0 0.3 NE2 F:HIS10 3.4 14.2 1.0 CB F:LEU6 3.8 12.2 1.0 CD1 F:LEU6 3.9 16.1 1.0 CD2 F:HIS10 3.9 12.8 1.0 CG F:LEU6 4.4 15.4 1.0 CE1 F:HIS10 4.5 15.4 1.0 O F:LEU6 4.7 14.3 1.0 CA F:LEU6 4.8 11.2 1.0 C F:LEU6 4.8 13.8 1.0

Chlorine binding site 4 out of 4 in the Structure of Insulin


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ H:Cl31 b:15.9 occ:0.33 ZN H:ZN30 2.2 14.7 0.3 NE2 H:HIS10 3.5 14.8 1.0 CB H:LEU6 3.8 12.5 1.0 CD1 H:LEU6 3.9 13.2 1.0 CD2 H:HIS10 4.0 12.0 1.0 CG H:LEU6 4.5 14.2 1.0 CE1 H:HIS10 4.5 16.9 1.0 C H:LEU6 4.9 13.3 1.0 O H:LEU6 4.9 12.8 1.0 CA H:LEU6 4.9 11.8 1.0

J.L.Whittingham, S.Havelund, I.Jonassen. Crystal Structure of A Prolonged-Acting Insulin with Albumin-Binding Properties. Biochemistry V. 36 2826 1997.
ISSN: ISSN 0006-2960
PubMed: 9062110
DOI: 10.1021/BI9625105