3m9f: Difference between revisions

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<StructureSection load='3m9f' size='340' side='right'caption='[[3m9f]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
<StructureSection load='3m9f' size='340' side='right'caption='[[3m9f]], [[Resolution|resolution]] 1.80&Aring;' scene=''>
== Structural highlights ==
== Structural highlights ==
<table><tr><td colspan='2'>[[3m9f]] is a 2 chain structure with sequence from [http://en.wikipedia.org/wiki/9hiv1 9hiv1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3M9F OCA]. For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3M9F FirstGlance]. <br>
<table><tr><td colspan='2'>[[3m9f]] is a 2 chain structure with sequence from [https://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1]. Full crystallographic information is available from [http://oca.weizmann.ac.il/oca-bin/ocashort?id=3M9F OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=3M9F FirstGlance]. <br>
</td></tr><tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat"><scene name='pdbligand=595:N-[(1S,5S)-5-{[(4-AMINOPHENYL)SULFONYL](3-METHYLBUTYL)AMINO}-1-METHYL-6-OXOHEXYL]-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE'>595</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 1.8&#8491;</td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=3m9f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3m9f OCA], [http://pdbe.org/3m9f PDBe], [http://www.rcsb.org/pdb/explore.do?structureId=3m9f RCSB], [http://www.ebi.ac.uk/pdbsum/3m9f PDBsum], [http://prosat.h-its.org/prosat/prosatexe?pdbcode=3m9f ProSAT]</span></td></tr>
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=595:N-[(1S,5S)-5-{[(4-AMINOPHENYL)SULFONYL](3-METHYLBUTYL)AMINO}-1-METHYL-6-OXOHEXYL]-NALPHA-(METHOXYCARBONYL)-BETA-PHENYL-L-PHENYLALANINAMIDE'>595</scene>, <scene name='pdbligand=CL:CHLORIDE+ION'>CL</scene></td></tr>
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=3m9f FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=3m9f OCA], [https://pdbe.org/3m9f PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=3m9f RCSB], [https://www.ebi.ac.uk/pdbsum/3m9f PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=3m9f ProSAT]</span></td></tr>
</table>
</table>
== Function ==
[https://www.uniprot.org/uniprot/Q9WFL7_9HIV1 Q9WFL7_9HIV1]
== Evolutionary Conservation ==
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
[[Image:Consurf_key_small.gif|200px|right]]
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</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3m9f ConSurf].
</jmol>, as determined by [http://consurfdb.tau.ac.il/ ConSurfDB]. You may read the [[Conservation%2C_Evolutionary|explanation]] of the method and the full data available from [http://bental.tau.ac.il/new_ConSurfDB/main_output.php?pdb_ID=3m9f ConSurf].
<div style="clear:both"></div>
<div style="clear:both"></div>
<div style="background-color:#fffaf0;">
== Publication Abstract from PubMed ==
A series of HIV-1 protease inhibitors containing an epsilon substituted lysinol backbone was synthesized. Two novel synthetic routes using N-boc-L-glutamic acid alpha-benzyl ester and 2,6-diaminopimelic acid were developed. Incorporation of this epsilon substituent enabled access to the S2 pocket of the enzyme, affording high potency inhibitors. Modeling studies and synthetic efforts suggest the potency increase is due to both conformational bias and van der Waals interactions with the S2 pocket.


Epsilon substituted lysinol derivatives as HIV-1 protease inhibitors.,Jones KL, Holloway MK, Su HP, Carroll SS, Burlein C, Touch S, DiStefano DJ, Sanchez RI, Williams TM, Vacca JP, Coburn CA Bioorg Med Chem Lett. 2010 Jul 15;20(14):4065-8. Epub 2010 May 25. PMID:20547452<ref>PMID:20547452</ref>
==See Also==
 
*[[Immunodeficiency virus protease 3D structures|Immunodeficiency virus protease 3D structures]]
From MEDLINE&reg;/PubMed&reg;, a database of the U.S. National Library of Medicine.<br>
</div>
<div class="pdbe-citations 3m9f" style="background-color:#fffaf0;"></div>
== References ==
<references/>
__TOC__
__TOC__
</StructureSection>
</StructureSection>
[[Category: Human immunodeficiency virus 1]]
[[Category: Large Structures]]
[[Category: Large Structures]]
[[Category: Su, H P]]
[[Category: Su HP]]
[[Category: Hiv]]
[[Category: Protease]]
[[Category: Transferase]]

Latest revision as of 13:24, 21 February 2024

HIV protease complexed with compound 10bHIV protease complexed with compound 10b

Structural highlights

3m9f is a 2 chain structure with sequence from Human immunodeficiency virus 1. Full crystallographic information is available from OCA. For a guided tour on the structure components use FirstGlance.
Method:X-ray diffraction, Resolution 1.8Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q9WFL7_9HIV1

Evolutionary Conservation

Check, as determined by ConSurfDB. You may read the explanation of the method and the full data available from ConSurf.

See Also

3m9f, resolution 1.80Å

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