2jv1: Difference between revisions

Revision as of 19:06, 21 February 2008

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

OverviewOverview

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 StructureAbout this Structure

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

ReferenceReference

Structure of human insulin monomer in water/acetonitrile solution., Bocian W, Sitkowski J, Bednarek E, Tarnowska A, Kawecki R, Kozerski L, J Biomol NMR. 2008 Jan;40(1):55-64. Epub 2007 Nov 27. PMID:18040865

Page seeded by OCA on Thu Feb 21 18:06:09 2008

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OCA

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 ==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).
+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==
@@ Line 10: / Line 10: @@
 ==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:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18040865 18040865]
+Structure of human insulin monomer in water/acetonitrile solution., Bocian W, Sitkowski J, Bednarek E, Tarnowska A, Kawecki R, Kozerski L, J Biomol NMR. 2008 Jan;40(1):55-64. Epub 2007 Nov 27. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=18040865 18040865]
 [[Category: Homo sapiens]]
 [[Category: Protein complex]]
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 [[Category: secreted]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jan 23 11:12:57 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:06:09 2008''