2JV1
NMR structure of human insulin monomer in 35% CD3CN zinc free, 50 structures
Summary for 2JV1
| Entry DOI | 10.2210/pdb2jv1/pdb |
| NMR Information | BMRB: 15464 |
| Descriptor | Insulin (2 entities in total) |
| Functional Keywords | human insulin, 35% cd3cn, monomer, carbohydrate metabolism, cleavage on pair of basic residues, diabetes mellitus, disease mutation, glucose metabolism, hormone, pharmaceutical, secreted |
| Biological source | Homo sapiens (human) More |
| Cellular location | Secreted: P01308 P01308 |
| Total number of polymer chains | 2 |
| Total formula weight | 5817.65 |
| Authors | Bocian, W.,Kozerski, L. (deposition date: 2007-09-11, release date: 2007-12-11, Last modification date: 2024-10-30) |
| Primary citation | 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 Cited by 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: 18040865DOI: 10.1007/s10858-007-9206-2 PDB entries with the same primary citation |
| Experimental method | SOLUTION NMR |
Structure validation
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