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3ins
From Proteopedia
| 3ins, resolution 1.50Å () | |||||||||
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| Ligands: | , | ||||||||
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| Resources: | FirstGlance, OCA, PDBsum, RCSB | ||||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||||
Contents |
STRUCTURE OF INSULIN. RESULTS OF JOINT NEUTRON AND X-RAY REFINEMENT
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.
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
From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine.
About this Structure
3ins is a 4 chain structure with sequence from Sus scrofa. Full crystallographic information is available from OCA.
See Also
Reference
- Wlodawer A, Savage H, Dodson G. Structure of insulin: results of joint neutron and X-ray refinement. Acta Crystallogr B. 1989 Feb 1;45 ( Pt 1):99-107. PMID:2695122
