Zinc 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:

Chlorine	(Cl)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc where determined in the High Resolution X-Ray Crystal Structure of Synthetic Insulin Lispro, PDB code: 5udp:
Jump to Zinc binding site number: 1; 2;

Zinc 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 Zinc with other atoms in the Zn 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:Zn101 b:19.5 occ:1.00 NE2 H:HIS10 2.0 19.2 1.0 NE2 J:HIS10 2.0 20.4 1.0 NE2 B:HIS10 2.0 18.8 1.0 CL B:CL102 2.2 20.9 0.9 CE1 H:HIS10 2.9 20.2 1.0 CD2 J:HIS10 3.0 18.5 1.0 CE1 B:HIS10 3.0 22.1 1.0 CE1 J:HIS10 3.0 23.6 1.0 CD2 B:HIS10 3.0 17.9 1.0 CD2 H:HIS10 3.1 20.4 1.0 ND1 H:HIS10 4.0 21.7 1.0 ND1 J:HIS10 4.1 23.6 1.0 ND1 B:HIS10 4.1 23.0 1.0 CG J:HIS10 4.1 19.7 1.0 CG H:HIS10 4.2 19.4 1.0 CG B:HIS10 4.2 18.5 1.0 O J:LEU6 4.8 20.8 1.0 O H:LEU6 4.8 24.5 1.0 CB B:LEU6 4.9 19.8 1.0 CB J:LEU6 4.9 21.2 1.0 CB H:LEU6 4.9 24.5 1.0 O B:HOH204 4.9 34.6 1.0 O J:HOH205 4.9 39.4 1.0 OG J:SER9 4.9 23.4 0.3 O B:LEU6 4.9 19.9 1.0 O H:HOH105 5.0 36.4 1.0

Zinc 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 Zinc with other atoms in the Zn 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:Zn101 b:20.0 occ:1.00 NE2 D:HIS10 2.0 19.0 1.0 NE2 F:HIS10 2.0 22.0 1.0 NE2 L:HIS10 2.0 20.5 1.0 CL D:CL102 2.2 23.3 1.0 CE1 D:HIS10 2.9 23.3 1.0 CE1 L:HIS10 3.0 20.0 1.0 CE1 F:HIS10 3.0 22.6 1.0 CD2 D:HIS10 3.0 21.7 1.0 CD2 F:HIS10 3.0 19.3 1.0 CD2 L:HIS10 3.0 18.7 1.0 ND1 D:HIS10 4.1 24.6 1.0 ND1 F:HIS10 4.1 22.5 1.0 ND1 L:HIS10 4.1 22.5 1.0 CG D:HIS10 4.1 20.9 1.0 CG F:HIS10 4.1 18.4 1.0 CG L:HIS10 4.2 18.1 1.0 CB L:LEU6 4.8 22.2 1.0 OG F:SER9 4.8 23.2 0.3 O F:HOH102 4.8 36.3 1.0 O D:LEU6 4.9 21.9 1.0 O F:LEU6 4.9 20.8 1.0 O L:LEU6 4.9 20.5 1.0 CB F:LEU6 4.9 23.1 1.0 CB D:LEU6 4.9 22.6 1.0 O D:HOH205 5.0 40.2 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