2dcr
From Proteopedia
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| - | [[Image:2dcr.gif|left|200px]] | + | [[Image:2dcr.gif|left|200px]] |
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| - | '''Fully automated solution structure determination of the Fes SH2 domain''' | + | {{Structure |
| + | |PDB= 2dcr |SIZE=350|CAPTION= <scene name='initialview01'>2dcr</scene> | ||
| + | |SITE= | ||
| + | |LIGAND= | ||
| + | |ACTIVITY= [http://en.wikipedia.org/wiki/Transferase Transferase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.10.1 and 2.7.10.2 2.7.10.1 and 2.7.10.2] | ||
| + | |GENE= | ||
| + | }} | ||
| + | |||
| + | '''Fully automated solution structure determination of the Fes SH2 domain''' | ||
| + | |||
==Overview== | ==Overview== | ||
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==About this Structure== | ==About this Structure== | ||
| - | 2DCR is a [ | + | 2DCR is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2DCR OCA]. |
==Reference== | ==Reference== | ||
| - | Automated protein structure determination from NMR spectra., Lopez-Mendez B, Guntert P, J Am Chem Soc. 2006 Oct 11;128(40):13112-22. PMID:[http:// | + | Automated protein structure determination from NMR spectra., Lopez-Mendez B, Guntert P, J Am Chem Soc. 2006 Oct 11;128(40):13112-22. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/17017791 17017791] |
[[Category: Homo sapiens]] | [[Category: Homo sapiens]] | ||
[[Category: Single protein]] | [[Category: Single protein]] | ||
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[[Category: Lopez-Mendez, B.]] | [[Category: Lopez-Mendez, B.]] | ||
[[Category: feline sarcoma oncogene]] | [[Category: feline sarcoma oncogene]] | ||
| - | [[Category: | + | [[Category: fe]] |
[[Category: flya algorithm]] | [[Category: flya algorithm]] | ||
[[Category: fully automated structure determination]] | [[Category: fully automated structure determination]] | ||
[[Category: sh2 domain]] | [[Category: sh2 domain]] | ||
| - | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu | + | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 16:25:43 2008'' |
Revision as of 14:25, 20 March 2008
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| Activity: | Transferase, with EC number and 2.7.10.2 2.7.10.1 and 2.7.10.2 | ||||||
| Coordinates: | save as pdb, mmCIF, xml | ||||||
Fully automated solution structure determination of the Fes SH2 domain
Overview
Fully automated structure determination of proteins in solution (FLYA) yields, without human intervention, three-dimensional protein structures starting from a set of multidimensional NMR spectra. Integrating existing and new software, automated peak picking over all spectra is followed by peak list filtering, the generation of an ensemble of initial chemical shift assignments, the determination of consensus chemical shift assignments for all (1)H, (13)C, and (15)N nuclei, the assignment of NOESY cross-peaks, the generation of distance restraints, and the calculation of the three-dimensional structure by torsion angle dynamics. The resulting, preliminary structure serves as additional input to the second stage of the procedure, in which a new ensemble of chemical shift assignments and a refined structure are calculated. The three-dimensional structures of three 12-16 kDa proteins computed with the FLYA algorithm coincided closely with the conventionally determined structures. Deviations were below 0.95 A for the backbone atom positions, excluding the flexible chain termini. 96-97% of all backbone and side-chain chemical shifts in the structured regions were assigned to the correct residues. The purely computational FLYA method is suitable for substituting all manual spectra analysis and thus overcomes a main efficiency limitation of the NMR method for protein structure determination.
About this Structure
2DCR is a Single protein structure of sequence from Homo sapiens. Full crystallographic information is available from OCA.
Reference
Automated protein structure determination from NMR spectra., Lopez-Mendez B, Guntert P, J Am Chem Soc. 2006 Oct 11;128(40):13112-22. PMID:17017791
Page seeded by OCA on Thu Mar 20 16:25:43 2008
