Chlorine in PDB 5udp: High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro

The structure of High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro, PDB code: 5udp was solved by K.Mandal, B.Dhayalan, S.B.H.Kent, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.72 / 1.35
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	46.644, 61.470, 59.148, 90.00, 110.60, 90.00
R / Rfree (%)	16 / 19.4

The structure of High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro also contains other interesting chemical elements:

Zinc	(Zn)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro (pdb code 5udp). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro, PDB code: 5udp:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl102 b:20.9 occ:0.92 ZN B:ZN101 2.2 19.5 1.0 O H:HOH114 3.3 43.7 1.0 NE2 H:HIS10 3.4 19.2 1.0 NE2 B:HIS10 3.5 18.8 1.0 NE2 J:HIS10 3.5 20.4 1.0 CD2 J:HIS10 3.9 18.5 1.0 CB H:LEU6 3.9 24.5 1.0 CB J:LEU6 3.9 21.2 1.0 CB B:LEU6 3.9 19.8 1.0 CD2 B:HIS10 4.0 17.9 1.0 CD2 H:HIS10 4.0 20.4 1.0 CD1 B:LEU6 4.1 25.1 1.0 CD1 H:LEU6 4.1 27.7 1.0 CD1 J:LEU6 4.2 25.6 1.0 CE1 H:HIS10 4.5 20.2 1.0 CG H:LEU6 4.5 25.6 1.0 CG B:LEU6 4.5 20.8 1.0 CE1 B:HIS10 4.6 22.1 1.0 CG J:LEU6 4.6 22.7 1.0 CE1 J:HIS10 4.6 23.6 1.0 O J:LEU6 4.8 20.8 1.0 O H:LEU6 4.9 24.5 1.0 C J:LEU6 4.9 18.8 1.0 C H:LEU6 4.9 24.0 1.0 CA J:LEU6 4.9 19.1 1.0 CA H:LEU6 4.9 24.7 1.0 CA B:LEU6 5.0 19.4 1.0 O B:LEU6 5.0 19.9 1.0

Chlorine binding site 2 out of 2 in the High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro within 5.0Å range: probe atom residue distance (Å) B Occ D:Cl102 b:23.3 occ:1.00 ZN D:ZN101 2.2 20.0 1.0 O D:HOH217 3.4 44.7 1.0 NE2 D:HIS10 3.4 19.0 1.0 NE2 L:HIS10 3.4 20.5 1.0 NE2 F:HIS10 3.5 22.0 1.0 CB F:LEU6 3.9 23.1 1.0 CB L:LEU6 3.9 22.2 1.0 CD2 D:HIS10 3.9 21.7 1.0 CB D:LEU6 3.9 22.6 1.0 CD2 L:HIS10 3.9 18.7 1.0 CD2 F:HIS10 4.0 19.3 1.0 CD1 F:LEU6 4.1 30.2 1.0 CD1 L:LEU6 4.1 28.2 1.0 CD1 D:LEU6 4.2 25.4 1.0 CG F:LEU6 4.5 25.8 1.0 CE1 L:HIS10 4.5 20.0 1.0 O L:HOH112 4.5 39.8 1.0 CE1 D:HIS10 4.6 23.3 1.0 CG L:LEU6 4.6 25.5 1.0 CE1 F:HIS10 4.6 22.6 1.0 CG D:LEU6 4.7 23.4 1.0 CD2 F:LEU6 4.9 26.4 1.0 O D:LEU6 4.9 21.9 1.0 C D:LEU6 4.9 21.6 1.0 CA F:LEU6 4.9 20.7 1.0 O F:LEU6 4.9 20.8 1.0 CA D:LEU6 5.0 21.7 1.0 C L:LEU6 5.0 19.2 1.0 O L:LEU6 5.0 20.5 1.0 CA L:LEU6 5.0 20.7 1.0 C F:LEU6 5.0 19.6 1.0

B.Dhayalan, K.Mandal, N.Rege, M.A.Weiss, S.H.Eitel, T.Meier, R.O.Schoenleber, S.B.Kent. Scope and Limitations of Fmoc Chemistry Spps-Based Approaches to the Total Synthesis of Insulin Lispro Via Ester Insulin. Chemistry V. 23 1709 2017.
ISSN: ISSN 1521-3765
PubMed: 27905149
DOI: 10.1002/CHEM.201605578