2jv1

From Proteopedia

Revision as of 09:12, 23 January 2008

NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures

Overview

Here we present evidence that in water/acetonitrile solvent detailed, structural and dynamic information can be obtained for important proteins, that are naturally present as oligomers under native conditions. An, NMR-derived human insulin monomer structure in H(2)O/CD(3)CN, 65/35 vol%, pH 3.6 is presented and compared with the available X-ray structure of a, monomer that forms part of a hexamer (Acta Crystallogr. 2003 Sec. D59, 474) and with NMR structures in water and organic cosolvent. Detailed, analysis using PFGSE NMR, temperature-dependent NMR, dilution experiments, and CSI proves that the structure is monomeric in the concentration and, temperature ranges 0.1-3 mM and 10-30 degrees C, respectively. The, presence of long-range interstrand NOEs, as found in the crystal structure, of the monomer, provides the evidence for conservation of the tertiary, structure. Starting from structures calculated by the program CYANA, two, different molecular dynamics simulated annealing refinement protocols were, applied, either using the program AMBER in vacuum (AMBER_VC), or including, a generalized Born solvent model (AMBER_GB).

About this Structure

2JV1 is a Protein complex structure of sequences from Homo sapiens. Full crystallographic information is available from OCA.

Reference

Structure of human insulin monomer in water/acetonitrile solution., Bocian W, Sitkowski J, Bednarek E, Tarnowska A, Kawecki R, Kozerski L, J Biomol NMR. 2007 Nov 27;. PMID:18040865

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