2lgi: Difference between revisions

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-[[Image:2lgi.png|left|200px]]
+==Atomic Resolution Protein Structures using NMR Chemical Shift Tensors==
+<StructureSection load='2lgi' size='340' side='right' caption='[[2lgi]], [[NMR_Ensembles_of_Models | 10 NMR models]]' scene=''>
+== Structural highlights ==
+[[2lgi]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Streptococcus_sp._'group_g' Streptococcus sp. 'group g']. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2LGI OCA]. <br>
+<b>Related:</b> [[2kwd|2kwd]], [[2kq4|2kq4]], [[2kop|2kop]], [[2jsv|2jsv]], [[2qmt|2qmt]], [[2ju6|2ju6]], [[2plp|2plp]], [[2gi9|2gi9]], [[1pga|1pga]], [[1pgb|1pgb]], [[1gb1|1gb1]], [[2gb1|2gb1]]<br>
+<b>Activity:</b> <span class='plainlinks'>[http://en.wikipedia.org/wiki/Glucokinase Glucokinase], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=2.7.1.2 2.7.1.2] </span><br>
+== Publication Abstract from PubMed ==
+NMR chemical shift tensors (CSTs) in proteins, as well as their orientations, represent an important new restraint class for protein structure refinement and determination. Here, we present the first determination of both CST magnitudes and orientations for (13)Calpha and (15)N (peptide backbone) groups in a protein, the beta1 IgG binding domain of protein G from Streptococcus spp., GB1. Site-specific (13)Calpha and (15)N CSTs were measured using synchronously evolved recoupling experiments in which (13)C and (15)N tensors were projected onto the (1)H-(13)C and (1)H-(15)N vectors, respectively, and onto the (15)N-(13)C vector in the case of (13)Calpha. The orientations of the (13)Calpha CSTs to the (1)H-(13)C and (13)C-(15)N vectors agreed well with the results of ab initio calculations, with an rmsd of approximately 8 degrees . In addition, the measured (15)N tensors exhibited larger reduced anisotropies in alpha-helical versus beta-sheet regions, with very limited variation (18 +/- 4 degrees ) in the orientation of the z-axis of the (15)N CST with respect to the (1)H-(15)N vector. Incorporation of the (13)Calpha CST restraints into structure calculations, in combination with isotropic chemical shifts, transferred echo double resonance (13)C-(15)N distances and vector angle restraints, improved the backbone rmsd to 0.16 A (PDB ID code 2LGI) and is consistent with existing X-ray structures (0.51 A agreement with PDB ID code 2QMT). These results demonstrate that chemical shift tensors have considerable utility in protein structure refinement, with the best structures comparable to 1.0-A crystal structures, based upon empirical metrics such as Ramachandran geometries and chi(1)/chi(2) distributions, providing solid-state NMR with a powerful tool for de novo structure determination.
-<!--
+Ultrahigh resolution protein structures using NMR chemical shift tensors.,Wylie BJ, Sperling LJ, Nieuwkoop AJ, Franks WT, Oldfield E, Rienstra CM Proc Natl Acad Sci U S A. 2011 Oct 11;108(41):16974-9. Epub 2011 Oct 3. PMID:21969532<ref>PMID:21969532</ref>
-The line below this paragraph, containing "STRUCTURE_2lgi", creates the "Structure Box" on the page.
-You may change the PDB parameter (which sets the PDB file loaded into the applet)
-or the SCENE parameter (which sets the initial scene displayed when the page is loaded),
-or leave the SCENE parameter empty for the default display.
--->
-{{STRUCTURE_2lgi|  PDB=2lgi  |  SCENE=  }}
-===Atomic Resolution Protein Structures using NMR Chemical Shift Tensors===
+From MEDLINEÂ®/PubMedÂ®, a database of the U.S. National Library of Medicine.<br>
+== References ==
+<references/>
-<!--
+__TOC__
-The line below this paragraph, {{ABSTRACT_PUBMED_21969532}}, adds the Publication Abstract to the page
+</StructureSection>
-(as it appears on PubMed at http://www.pubmed.gov), where 21969532 is the PubMed ID number.
+[[Category: Streptococcus sp. 'group g']]
--->
-{{ABSTRACT_PUBMED_21969532}}
-==About this Structure==
-[[2lgi]] is a 1 chain structure with sequence from [http://en.wikipedia.org/wiki/Bacteria Bacteria]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2LGI OCA].
-==Reference==
-<ref group="xtra">PMID:021969532</ref><references group="xtra"/>
-[[Category: Bacteria]]
 [[Category: Franks, W T.]]
 [[Category: Nieuwkoop, A J.]]