2JV1

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

2JV1 の概要

• エントリーDOI: 10.2210/pdb2jv1/pdb
• NMR情報: BMRB: 15464
• 分子名称: Insulin (2 entities in total)
• 機能のキーワード: human insulin, 35% cd3cn, monomer, carbohydrate metabolism, cleavage on pair of basic residues, diabetes mellitus, disease mutation, glucose metabolism, hormone, pharmaceutical, secreted
• 由来する生物種: Homo sapiens (human); 詳細
• 細胞内の位置: Secreted: P01308 P01308
• タンパク質・核酸の鎖数: 2
• 化学式量合計: 5817.65

構造登録者

Bocian, W.,Kozerski, L. (登録日: 2007-09-11, 公開日: 2007-12-11, 最終更新日: 2024-10-30)

主引用文献

Bocian, W.,Sitkowski, J.,Bednarek, E.,Tarnowska, A.,Kawecki, R.,Kozerski, L.
Structure of human insulin monomer in water/acetonitrile solution.
J.Biomol.Nmr, 40:55-64, 2008

PubMed Abstract: 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 H2O/CD3CN, 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).

PubMed: 18040865
DOI: 10.1007/s10858-007-9206-2

実験手法

SOLUTION NMR