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2r5d

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|PDB= 2r5d |SIZE=350|CAPTION= <scene name='initialview01'>2r5d</scene>, resolution 1.660&Aring;
|PDB= 2r5d |SIZE=350|CAPTION= <scene name='initialview01'>2r5d</scene>, resolution 1.660&Aring;
|SITE=
|SITE=
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|LIGAND= <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>, <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene> and <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>
+
|LIGAND= <scene name='pdbligand=ACE:ACETYL+GROUP'>ACE</scene>, <scene name='pdbligand=DAL:D-ALANINE'>DAL</scene>, <scene name='pdbligand=DAS:D-ASPARTIC+ACID'>DAS</scene>, <scene name='pdbligand=DCY:D-CYSTEINE'>DCY</scene>, <scene name='pdbligand=DGL:D-GLUTAMIC+ACID'>DGL</scene>, <scene name='pdbligand=DGN:D-GLUTAMINE'>DGN</scene>, <scene name='pdbligand=DLE:D-LEUCINE'>DLE</scene>, <scene name='pdbligand=DLY:D-LYSINE'>DLY</scene>, <scene name='pdbligand=DPR:D-PROLINE'>DPR</scene>, <scene name='pdbligand=DTR:D-TRYPTOPHAN'>DTR</scene>, <scene name='pdbligand=DTY:D-TYROSINE'>DTY</scene>, <scene name='pdbligand=EPE:4-(2-HYDROXYETHYL)-1-PIPERAZINE+ETHANESULFONIC+ACID'>EPE</scene>, <scene name='pdbligand=GOL:GLYCEROL'>GOL</scene>, <scene name='pdbligand=NH2:AMINO+GROUP'>NH2</scene>, <scene name='pdbligand=SO4:SULFATE+ION'>SO4</scene>
|ACTIVITY=
|ACTIVITY=
|GENE=
|GENE=
 +
|DOMAIN=
 +
|RELATEDENTRY=[[2r3c|2R3C]], [[2r5b|2R5B]]
 +
|RESOURCES=<span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=2r5d FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2r5d OCA], [http://www.ebi.ac.uk/pdbsum/2r5d PDBsum], [http://www.rcsb.org/pdb/explore.do?structureId=2r5d RCSB]</span>
}}
}}
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[[Category: VanDemark, A P.]]
[[Category: VanDemark, A P.]]
[[Category: Welch, B.]]
[[Category: Welch, B.]]
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[[Category: ACE]]
 
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[[Category: EPE]]
 
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[[Category: GOL]]
 
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[[Category: NH2]]
 
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[[Category: SO4]]
 
[[Category: hiv]]
[[Category: hiv]]
[[Category: inhibitor]]
[[Category: inhibitor]]
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[[Category: viral protein]]
[[Category: viral protein]]
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 18:32:44 2008''
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''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Mon Mar 31 04:56:43 2008''

Revision as of 01:56, 31 March 2008

Image:2r5d.jpg


PDB ID 2r5d

Drag the structure with the mouse to rotate
, resolution 1.660Å
Ligands: , , , , , , , , , , , , , ,
Related: 2R3C, 2R5B


Resources: FirstGlance, OCA, PDBsum, RCSB
Coordinates: save as pdb, mmCIF, xml



Structure of the gp41 N-trimer in complex with the HIV entry inhibitor PIE7


Overview

During HIV-1 entry, the highly conserved gp41 N-trimer pocket region becomes transiently exposed and vulnerable to inhibition. Using mirror-image phage display and structure-assisted design, we have discovered protease-resistant D-amino acid peptides (D-peptides) that bind the N-trimer pocket with high affinity and potently inhibit viral entry. We also report high-resolution crystal structures of two of these D-peptides in complex with a pocket mimic that suggest sources of their high potency. A trimeric version of one of these peptides is the most potent pocket-specific entry inhibitor yet reported by three orders of magnitude (IC(50) = 250 pM). These results are the first demonstration that D-peptides can form specific and high-affinity interactions with natural protein targets and strengthen their promise as therapeutic agents. The D-peptides described here address limitations associated with current L-peptide entry inhibitors and are promising leads for the prevention and treatment of HIV/AIDS.

About this Structure

2R5D is a Protein complex structure of sequences from [1]. Full crystallographic information is available from OCA.

Reference

Potent D-peptide inhibitors of HIV-1 entry., Welch BD, VanDemark AP, Heroux A, Hill CP, Kay MS, Proc Natl Acad Sci U S A. 2007 Oct 23;104(43):16828-33. Epub 2007 Oct 17. PMID:17942675

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