2q5u: Difference between revisions

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Revision as of 19:22, 20 March 2008

File:2q5u.gif

, resolution 1.50Å

Ligands:

and

Coordinates:

save as pdb, mmCIF, xml

Crystal structure of IQN17

OverviewOverview

The HIV-1 gp41 protein promotes viral entry by mediating the fusion of viral and cellular membranes. A prominent pocket on the surface of a central trimeric coiled coil within gp41 was previously identified as a potential target for drugs that inhibit HIV-1 entry. We designed a peptide, IQN17, which properly presents this pocket. Utilizing IQN17 and mirror-image phage display, we identified cyclic, D-peptide inhibitors of HIV-1 infection that share a sequence motif. A 1.5 A cocrystal structure of IQN17 in complex with a D-peptide, and NMR studies, show that conserved residues of these inhibitors make intimate contact with the gp41 pocket. Our studies validate the pocket per se as a target for drug development. IQN17 and these D-peptide inhibitors are likely to be useful for development and identification of a new class of orally bioavailable anti-HIV drugs.

About this StructureAbout this Structure

2Q5U is a Single protein structure of sequence from [1]. Full crystallographic information is available from OCA.

ReferenceReference

Inhibiting HIV-1 entry: discovery of D-peptide inhibitors that target the gp41 coiled-coil pocket., Eckert DM, Malashkevich VN, Hong LH, Carr PA, Kim PS, Cell. 1999 Oct 1;99(1):103-15. PMID:10520998

Page seeded by OCA on Thu Mar 20 18:22:03 2008

Proteopedia Page Contributors and Editors (what is this?)Proteopedia Page Contributors and Editors (what is this?)

OCA

@@ Line 1: / Line 1: @@
-[[Image:2q5u.gif|left|200px]]<br /><applet load="2q5u" size="350" color="white" frame="true" align="right" spinBox="true"
+[[Image:2q5u.gif|left|200px]]
-caption="2q5u, resolution 1.50&Aring;" />
-'''Crystal structure of IQN17'''<br />
+ {{Structure
+|PDB= 2q5u |SIZE=350|CAPTION= <scene name='initialview01'>2q5u</scene>, resolution 1.50&Aring;
+|SITE=
+|LIGAND= <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene> and <scene name='pdbligand=ACE:ACETYL GROUP'>ACE</scene>
+|ACTIVITY=
+|GENE=
+}}
+'''Crystal structure of IQN17'''
 ==Overview==
@@ Line 7: / Line 16: @@
 ==About this Structure==
-Q5U is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/ ] with <scene name='pdbligand=CL:'>CL</scene> and <scene name='pdbligand=ACE:'>ACE</scene> as [http://en.wikipedia.org/wiki/ligands ligands]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q5U OCA].
+Q5U is a [[Single protein]] structure of sequence from [http://en.wikipedia.org/wiki/ ]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=2Q5U OCA].
 ==Reference==
-Inhibiting HIV-1 entry: discovery of D-peptide inhibitors that target the gp41 coiled-coil pocket., Eckert DM, Malashkevich VN, Hong LH, Carr PA, Kim PS, Cell. 1999 Oct 1;99(1):103-15. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=10520998 10520998]
+Inhibiting HIV-1 entry: discovery of D-peptide inhibitors that target the gp41 coiled-coil pocket., Eckert DM, Malashkevich VN, Hong LH, Carr PA, Kim PS, Cell. 1999 Oct 1;99(1):103-15. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/10520998 10520998]
 [[Category: Single protein]]
 [[Category: Eckert, D M.]]
@@ Line 22: / Line 31: @@
 [[Category: viral protein/viral protein inhibitor]]
-''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Feb 21 18:36:21 2008''
+''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:22:03 2008''