Chlorine in PDB 8hgz: Crystal Structure of Insulin

The structure of Crystal Structure of Insulin, PDB code: 8hgz was solved by H.Demirci, E.Ayan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	21.64 / 1.70
Space group	H 3
Cell size a, b, c (Å), α, β, γ (°)	78.885, 78.885, 79.272, 90, 90, 120
R / Rfree (%)	21.8 / 25.8

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

Zinc

(Zn)

4 atoms

The binding sites of Chlorine atom in the Crystal Structure of Insulin (pdb code 8hgz). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Crystal Structure of Insulin, PDB code: 8hgz:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in the Crystal 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 Crystal Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ F:Cl103 b:14.2 occ:0.30 ZN F:ZN102 2.3 17.8 0.3 NE2 F:HIS10 3.6 15.0 1.0 CB F:LEU6 3.9 14.8 1.0 CD1 F:LEU6 4.1 22.1 1.0 CD2 F:HIS10 4.1 20.6 1.0 CG F:LEU6 4.5 16.6 1.0 CE1 F:HIS10 4.7 22.7 1.0 O F:LEU6 4.7 14.0 1.0 CA F:LEU6 4.9 13.8 1.0 C F:LEU6 4.9 16.1 1.0 CD2 F:LEU6 5.0 19.9 1.0

Chlorine binding site 2 out of 4 in the Crystal 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 Crystal Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:15.4 occ:0.32 ZN B:ZN101 2.3 13.4 0.3 NE2 B:HIS10 3.7 10.9 1.0 CD1 B:LEU6 3.7 17.5 1.0 CB B:LEU6 3.8 12.6 1.0 CD2 B:HIS10 4.1 14.2 1.0 CG B:LEU6 4.3 16.1 1.0 O B:HOH206 4.7 55.9 1.0 CE1 B:HIS10 4.8 21.1 1.0 O B:LEU6 4.8 15.3 1.0 CA B:LEU6 4.9 10.4 1.0 C B:LEU6 4.9 11.5 1.0 CD2 B:LEU6 5.0 19.8 1.0

Chlorine binding site 3 out of 4 in the Crystal 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 Crystal Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ J:Cl103 b:18.7 occ:0.37 ZN J:ZN102 2.2 14.8 0.3 NE2 J:HIS10 3.7 11.5 1.0 CB J:LEU6 3.9 11.8 1.0 CD1 J:LEU6 4.0 15.2 1.0 CD2 J:HIS10 4.1 9.9 1.0 CG J:LEU6 4.5 17.7 1.0 CE1 J:HIS10 4.8 18.7 1.0 O J:LEU6 4.8 14.3 1.0 C J:LEU6 4.9 17.0 1.0 CA J:LEU6 5.0 10.8 1.0

Chlorine binding site 4 out of 4 in the Crystal 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 Crystal Structure of Insulin within 5.0Å range: probe atom residue distance (Å) B Occ N:Cl102 b:13.4 occ:0.34 ZN N:ZN101 2.2 14.7 0.3 NE2 N:HIS10 3.7 17.4 1.0 CB N:LEU6 3.8 13.8 1.0 CD1 N:LEU6 3.9 29.6 1.0 CD2 N:HIS10 4.0 18.5 1.0 CG N:LEU6 4.5 20.3 1.0 O N:LEU6 4.7 14.5 1.0 C N:LEU6 4.8 19.8 1.0 CA N:LEU6 4.8 14.5 1.0 CE1 N:HIS10 4.9 18.4 1.0

E.Ayan, E.Destan, A.Kepceoglu, H.I.Ciftci, A.Kati, H.Demirci. Comparative Study of High-Resolution LYSB29(N Epsilon-Myristoyl) Des(B30) Insulin Structures Display Novel Dynamic Causal Interrelations in Monomeric-Dimeric Motions Crystals V. 13 2023.
ISSN: ESSN 2073-4352
DOI: 10.3390/CRYST13040648