2hb4: Difference between revisions

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New page: left|200px<br /> <applet load="2hb4" size="450" color="white" frame="true" align="right" spinBox="true" caption="2hb4, resolution 2.15Å" /> '''Structure of HIV Pr...
 
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[[Image:2hb4.gif|left|200px]]<br />
<applet load="2hb4" size="450" color="white" frame="true" align="right" spinBox="true"
caption="2hb4, resolution 2.15&Aring;" />
'''Structure of HIV Protease NL4-3 in an Unliganded State'''<br />


==Overview==
==Structure of HIV Protease NL4-3 in an Unliganded State==
The crystal structures of wild-type HIV protease (HIV PR) in the absence, of substrate or inhibitor in two related crystal forms at 1.4 and 2.15 A, resolution are reported. In one crystal form HIV PR adopts an 'open', conformation with a 7.7 A separation between the tips of the flaps in the, homodimer. In the other crystal form the tips of the flaps are 'curled', towards the 80s loop, forming contacts across the local twofold axis. The, 2.3 A resolution crystal structure of a sixfold mutant of HIV PR in the, absence of substrate or inhibitor is also reported. The mutant HIV PR, which evolved in response to treatment with the potent inhibitor TL-3, contains six point mutations relative to the wild-type enzyme (L24I, M46I, F53L, L63P, V77I, V82A). In this structure the flaps also adopt a 'curled', conformation, but are separated and not in contact. Comparison of the apo, structures to those with TL-3 bound demonstrates the extent of, conformational change induced by inhibitor binding, which includes, reorganization of the packing between twofold-related flaps. Further, comparison with six other apo HIV PR structures reveals that the 'open', and 'curled' conformations define two distinct families in HIV PR. These, conformational states include hinge motion of residues at either end of, the flaps, opening and closing the entire beta-loop, and translational, motion of the flap normal to the dimer twofold axis and relative to the, 80s loop. The alternate conformations also entail changes in the beta-turn, at the tip of the flap. These observations provide insight into the, plasticity of the flap domains, the nature of their motions and their, critical role in binding substrates and inhibitors.
<StructureSection load='2hb4' size='340' side='right'caption='[[2hb4]], [[Resolution|resolution]] 2.15&Aring;' scene=''>
 
== Structural highlights ==
==About this Structure==
<table><tr><td colspan='2'>[[2hb4]] is a 1 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=2HB4 OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=2HB4 FirstGlance]. <br>
2HB4 is a [http://en.wikipedia.org/wiki/Single_protein Single protein] structure of sequence from [http://en.wikipedia.org/wiki/Human_immunodeficiency_virus_1 Human immunodeficiency virus 1] with MG and PGR as [http://en.wikipedia.org/wiki/ligands ligands]. Active as [http://en.wikipedia.org/wiki/HIV-1_retropepsin HIV-1 retropepsin], with EC number [http://www.brenda-enzymes.info/php/result_flat.php4?ecno=3.4.23.16 3.4.23.16] Full crystallographic information is available from [http://ispc.weizmann.ac.il/oca-bin/ocashort?id=2HB4 OCA].  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.15&#8491;</td></tr>
 
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=MG:MAGNESIUM+ION'>MG</scene>, <scene name='pdbligand=PGR:R-1,2-PROPANEDIOL'>PGR</scene></td></tr>
==Reference==
<tr id='resources'><td class="sblockLbl"><b>Resources:</b></td><td class="sblockDat"><span class='plainlinks'>[https://proteopedia.org/fgij/fg.htm?mol=2hb4 FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=2hb4 OCA], [https://pdbe.org/2hb4 PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=2hb4 RCSB], [https://www.ebi.ac.uk/pdbsum/2hb4 PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=2hb4 ProSAT]</span></td></tr>
Conformational flexibility in the flap domains of ligand-free HIV protease., Heaslet H, Rosenfeld R, Giffin M, Lin YC, Tam K, Torbett BE, Elder JH, McRee DE, Stout CD, Acta Crystallogr D Biol Crystallogr. 2007 Aug;63(Pt 8):866-75. Epub 2007, Jul 17. PMID:[http://ispc.weizmann.ac.il//pmbin/getpm?pmid=17642513 17642513]
</table>
[[Category: HIV-1 retropepsin]]
== Function ==
[https://www.uniprot.org/uniprot/Q903N5_9HIV1 Q903N5_9HIV1]
== Evolutionary Conservation ==
[[Image:Consurf_key_small.gif|200px|right]]
Check<jmol>
  <jmolCheckbox>
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/hb/2hb4_consurf.spt"</scriptWhenChecked>
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
    <text>to colour the structure by Evolutionary Conservation</text>
  </jmolCheckbox>
</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=2hb4 ConSurf].
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Elder, J.H.]]
[[Category: Elder JH]]
[[Category: Heaslet, H.]]
[[Category: Heaslet H]]
[[Category: Stout, C.D.]]
[[Category: Stout CD]]
[[Category: Tam, K.]]
[[Category: Tam K]]
[[Category: MG]]
[[Category: PGR]]
[[Category: aspartyl]]
[[Category: hiv]]
[[Category: protease]]
[[Category: retrovirus]]
 
''Page seeded by [http://ispc.weizmann.ac.il/oca OCA ] on Thu Nov  8 14:49:54 2007''

Latest revision as of 12:31, 14 February 2024

Structure of HIV Protease NL4-3 in an Unliganded StateStructure of HIV Protease NL4-3 in an Unliganded State

Structural highlights

2hb4 is a 1 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 2.15Å
Ligands:,
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q903N5_9HIV1

Evolutionary Conservation

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

2hb4, resolution 2.15Å

Drag the structure with the mouse to rotate

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

OCA
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