1oo9: Difference between revisions

Revision as of 18:20, 28 July 2008

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File:1oo9.jpg

Template:STRUCTURE 1oo9

Orientation in Solution of MMP-3 Catalytic Domain and N-TIMP-1 from Residual Dipolar CouplingsOrientation in Solution of MMP-3 Catalytic Domain and N-TIMP-1 from Residual Dipolar Couplings

Template:ABSTRACT PUBMED 12834347

About this StructureAbout this Structure

1OO9 is a Protein complex structure of sequences from Homo sapiens. Full experimental information is available from OCA.

ReferenceReference

Global orientation of bound MMP-3 and N-TIMP-1 in solution via residual dipolar couplings., Arumugam S, Van Doren SR, Biochemistry. 2003 Jul 8;42(26):7950-8. PMID:12834347

Page seeded by OCA on Mon Jul 28 18:20:39 2008

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 {{STRUCTURE_1oo9|  PDB=1oo9  |  SCENE=  }}
-'''Orientation in Solution of MMP-3 Catalytic Domain and N-TIMP-1 from Residual Dipolar Couplings'''
+===Orientation in Solution of MMP-3 Catalytic Domain and N-TIMP-1 from Residual Dipolar Couplings===
-==Overview==
+<!--
-Crystal structures of catalytic domains of MMP-3 and MT1-MMP bound to TIMP-1 or TIMP-2, respectively, differ in the orientation of the TIMP in the MMP active site. The orientation in solution of N-TIMP-1 in the MMP-3 active site has been investigated using residual dipolar couplings (RDCs). Fitting of the RDCs to the X-ray structures of the complexes suggests general agreement with the orientation of crystalline MMP-3(DeltaC) and TIMP-1 and a large disparity from the orientation of crystalline MT1-MMP(DeltaC) and TIMP-2. Rigid body docking of MMP-3 and N-TIMP-1 X-ray coordinates using RDCs and intermolecular NOEs provided a time-averaged orientation in solution differing from the crystal structure by a 5 degrees rotation toward the MT1-MMP(DeltaC)/TIMP-2 orientation. The slight discrepancy in orientations in solution and crystal lies within the experimental uncertainties. Intermolecular NOEs used in the docking corroborated the accuracy of mapping the interface by a paramagnetic NMR footprinting assay, a potential alternative source of contacts for docking. Some uncertainty in the N-TIMP-1 orientation in the MMP-3 active site, coupled with microsecond to millisecond fluctuations of the MMP-binding ridge of N-TIMP-1 in the complex and flexibility in MMP-3(DeltaC) S(1)' to S(3)' subsites, leaves open the possibility that N-TIMP-1 might dynamically pivot a few degrees or more in the arc toward the MT1-MMP(DeltaC)/TIMP-2 orientation. Differing TIMP orientations in MMP active sites are more likely to result from structural differences in TIMP AB hairpin loops than from crystal packing artifacts.
+The line below this paragraph, {{ABSTRACT_PUBMED_12834347}}, adds the Publication Abstract to the page
+(as it appears on PubMed at http://www.pubmed.gov), where 12834347 is the PubMed ID number.
+-->
+{{ABSTRACT_PUBMED_12834347}}
 ==About this Structure==
-OO9 is a [[Protein complex]] structure of sequences 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=1OO9 OCA].
+OO9 is a [[Protein complex]] structure of sequences from [http://en.wikipedia.org/wiki/Homo_sapiens Homo sapiens]. Full experimental information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=1OO9 OCA].
 ==Reference==
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 [[Category: Doren, S R.Van.]]
 [[Category: Protein-protein complex]]
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+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Jul 28 18:20:39 2008''