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3ins
From Proteopedia
(New page: 200px<br /><applet load="3ins" size="450" color="white" frame="true" align="right" spinBox="true" caption="3ins, resolution 1.5Å" /> '''STRUCTURE OF INSULIN....) |
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| - | [[Image:3ins.gif|left|200px]]<br /><applet load="3ins" size=" | + | [[Image:3ins.gif|left|200px]]<br /><applet load="3ins" size="350" color="white" frame="true" align="right" spinBox="true" |
caption="3ins, resolution 1.5Å" /> | caption="3ins, resolution 1.5Å" /> | ||
'''STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT'''<br /> | '''STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT'''<br /> | ||
==Overview== | ==Overview== | ||
| - | Neutron diffraction data for porcine 2Zn insulin were collected to 2.2 A | + | Neutron diffraction data for porcine 2Zn insulin were collected to 2.2 A resolution from a single crystal deuterated by slow exchange of mother liquor. A joint neutron/X-ray restrained-least-squares refinement was undertaken using the neutron data, as well as the 1.5 A resolution X-ray data collected previously. The final R factors were 0.182 for the X-ray data and 0.191 for the neutron data. Resulting atomic coordinates were compared with the initial X-ray model, showing a total r.m.s. shift of 0.36 A for the protein and 0.6 A for the solvent. Protonation of a number of individual amino acids was investigated by analysis of the neutron maps. No D atoms were found between the carboxylates of Glu B13 which make an intermolecular contact, suggesting nonbonded interaction rather than the predicted hydrogen bond. Amide hydrogen exchange was investigated in a refinement of their atomic occupancies. Regions of unexchanged amide groups were found in the center of the B helices. The results of this study emphasize the limited amount of information available in neutron diffraction studies of proteins at resolution lower than 2 A. |
==About this Structure== | ==About this Structure== | ||
| - | 3INS is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with ZN and DOD as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http:// | + | 3INS is a [http://en.wikipedia.org/wiki/Protein_complex Protein complex] structure of sequences from [http://en.wikipedia.org/wiki/Sus_scrofa Sus scrofa] with <scene name='pdbligand=ZN:'>ZN</scene> and <scene name='pdbligand=DOD:'>DOD</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3INS OCA]. |
==Reference== | ==Reference== | ||
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[[Category: hormone]] | [[Category: hormone]] | ||
| - | ''Page seeded by [http:// | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 19:09:58 2008'' |
Revision as of 17:09, 21 February 2008
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STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT
Overview
Neutron diffraction data for porcine 2Zn insulin were collected to 2.2 A resolution from a single crystal deuterated by slow exchange of mother liquor. A joint neutron/X-ray restrained-least-squares refinement was undertaken using the neutron data, as well as the 1.5 A resolution X-ray data collected previously. The final R factors were 0.182 for the X-ray data and 0.191 for the neutron data. Resulting atomic coordinates were compared with the initial X-ray model, showing a total r.m.s. shift of 0.36 A for the protein and 0.6 A for the solvent. Protonation of a number of individual amino acids was investigated by analysis of the neutron maps. No D atoms were found between the carboxylates of Glu B13 which make an intermolecular contact, suggesting nonbonded interaction rather than the predicted hydrogen bond. Amide hydrogen exchange was investigated in a refinement of their atomic occupancies. Regions of unexchanged amide groups were found in the center of the B helices. The results of this study emphasize the limited amount of information available in neutron diffraction studies of proteins at resolution lower than 2 A.
About this Structure
3INS is a Protein complex structure of sequences from Sus scrofa with and as ligands. Full crystallographic information is available from OCA.
Reference
Structure of insulin: results of joint neutron and X-ray refinement., Wlodawer A, Savage H, Dodson G, Acta Crystallogr B. 1989 Feb 1;45 ( Pt 1):99-107. PMID:2695122
Page seeded by OCA on Thu Feb 21 19:09:58 2008
Categories: Protein complex | Sus scrofa | Savage, H. | Wlodawer, A. | DOD | ZN | Hormone
