5EN9

High resolution x-ray crystal structure of isotope-labeled ester-insulin

Summary for 5EN9

• Entry DOI: 10.2210/pdb5en9/pdb
• Related: 5ENA
• Descriptor: Insulin chain A, Insulin chain B (3 entities in total)
• Functional Keywords: isotope-labeled, ester-insulin, chemical protein synthesis, spontaneous resolution, hormone
• Biological source: Homo sapiens (Human); More
• Total number of polymer chains: 2
• Total formula weight: 5817.65

Authors

Mandal, K.,Dhayalan, B.,Avital-Shmilovici, M.,Tokmakoff, A.,Kent, S.B.H. (deposition date: 2015-11-09, release date: 2016-01-13, Last modification date: 2019-12-25)

Primary citation

Mandal, K.,Dhayalan, B.,Avital-Shmilovici, M.,Tokmakoff, A.,Kent, S.B.
Crystallization of Enantiomerically Pure Proteins from Quasi-Racemic Mixtures: Structure Determination by X-Ray Diffraction of Isotope-Labeled Ester Insulin and Human Insulin.
Chembiochem, 17:421-425, 2016

PubMed Abstract: As a part of a program aimed towards the study of the dynamics of human insulin-protein dimer formation using two-dimensional infrared spectroscopy, we used total chemical synthesis to prepare stable isotope labeled [(1-(13) C=(18) O)Phe(B24) )] human insulin, via [(1-(13) C=(18) O)Phe(B24) )] ester insulin as a key intermediate product that facilitates folding of the synthetic protein molecule (see preceding article). Here, we describe the crystal structure of the synthetic isotope-labeled ester insulin intermediate and the product synthetic human insulin. Additionally, we present our observations on hexamer formation with these two proteins in the absence of phenol derivatives and/or Zn metal ions. We also describe and discuss the fractional crystallization of quasi-racemic protein mixtures containing each of these two synthetic proteins.

PubMed: 26707939
DOI: 10.1002/cbic.201500600

Experimental method

X-RAY DIFFRACTION (1.5 Å)