1mui: Difference between revisions

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[[Image:1mui.gif|left|200px]]


{{Structure
==Crystal structure of HIV-1 protease complexed with Lopinavir.==
|PDB= 1mui |SIZE=350|CAPTION= <scene name='initialview01'>1mui</scene>, resolution 2.8&Aring;
<StructureSection load='1mui' size='340' side='right'caption='[[1mui]], [[Resolution|resolution]] 2.80&Aring;' scene=''>
|SITE=  
== Structural highlights ==
|LIGAND= <scene name='pdbligand=AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE'>AB1</scene>
<table><tr><td colspan='2'>[[1mui]] 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=1MUI OCA]. For a <b>guided tour on the structure components</b> use [https://proteopedia.org/fgij/fg.htm?mol=1MUI FirstGlance]. <br>
|ACTIVITY= [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]  
</td></tr><tr id='method'><td class="sblockLbl"><b>[[Empirical_models|Method:]]</b></td><td class="sblockDat" id="methodDat">X-ray diffraction, [[Resolution|Resolution]] 2.8&#8491;</td></tr>
|GENE=
<tr id='ligand'><td class="sblockLbl"><b>[[Ligand|Ligands:]]</b></td><td class="sblockDat" id="ligandDat"><scene name='pdbligand=AB1:N-{1-BENZYL-4-[2-(2,6-DIMETHYL-PHENOXY)-ACETYLAMINO]-3-HYDROXY-5-PHENYL-PENTYL}-3-METHYL-2-(2-OXO-TETRAHYDRO-PYRIMIDIN-1-YL)-BUTYRAMIDE'>AB1</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=1mui FirstGlance], [http://oca.weizmann.ac.il/oca-bin/ocaids?id=1mui OCA], [https://pdbe.org/1mui PDBe], [https://www.rcsb.org/pdb/explore.do?structureId=1mui RCSB], [https://www.ebi.ac.uk/pdbsum/1mui PDBsum], [https://prosat.h-its.org/prosat/prosatexe?pdbcode=1mui ProSAT]</span></td></tr>
 
</table>
'''Crystal structure of HIV-1 protease complexed with Lopinavir.'''
== Function ==
 
[https://www.uniprot.org/uniprot/Q903J0_9HIV1 Q903J0_9HIV1]
 
== Evolutionary Conservation ==
==Overview==
[[Image:Consurf_key_small.gif|200px|right]]
The crystal structure of ABT-378 (lopinavir), bound to the active site of HIV-1 protease is described. A comparison with crystal structures of ritonavir, A-78791, and BILA-2450 shows some analogous features with previous reported compounds. A cyclic urea unit in the P(2) position of ABT-378 is novel and makes two bidentate hydrogen bonds with Asp 29 of HIV-1 protease. In addition, a previously unreported shift in the Gly 48 carbonyl position is observed. A discussion of the structural features responsible for its high potency against wild-type HIV protease is given along with an analysis of the effect of active site mutations on potency in in vitro assays.
Check<jmol>
 
  <jmolCheckbox>
==About this Structure==
    <scriptWhenChecked>; select protein; define ~consurf_to_do selected; consurf_initial_scene = true; script "/wiki/ConSurf/mu/1mui_consurf.spt"</scriptWhenChecked>
1MUI is a [[Single protein]] structure of sequence from [http://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=1MUI OCA].  
    <scriptWhenUnchecked>script /wiki/extensions/Proteopedia/spt/initialview01.spt</scriptWhenUnchecked>
 
    <text>to colour the structure by Evolutionary Conservation</text>
==Reference==
  </jmolCheckbox>
X-ray crystallographic structure of ABT-378 (lopinavir) bound to HIV-1 protease., Stoll V, Qin W, Stewart KD, Jakob C, Park C, Walter K, Simmer RL, Helfrich R, Bussiere D, Kao J, Kempf D, Sham HL, Norbeck DW, Bioorg Med Chem. 2002 Aug;10(8):2803-6. PMID:[http://www.ncbi.nlm.nih.gov/pubmed/12057670 12057670]
</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=1mui ConSurf].
[[Category: HIV-1 retropepsin]]
<div style="clear:both"></div>
__TOC__
</StructureSection>
[[Category: Human immunodeficiency virus 1]]
[[Category: Human immunodeficiency virus 1]]
[[Category: Single protein]]
[[Category: Large Structures]]
[[Category: Bussiere, D.]]
[[Category: Bussiere D]]
[[Category: Helfrich, R.]]
[[Category: Helfrich R]]
[[Category: Jakob, C.]]
[[Category: Jakob C]]
[[Category: Kao, J.]]
[[Category: Kao J]]
[[Category: Kempf, D.]]
[[Category: Kempf D]]
[[Category: Norbeck, D W.]]
[[Category: Norbeck DW]]
[[Category: Park, C.]]
[[Category: Park C]]
[[Category: Qin, W.]]
[[Category: Qin W]]
[[Category: Sham, H L.]]
[[Category: Sham HL]]
[[Category: Simmer, R L.]]
[[Category: Simmer RL]]
[[Category: Stewart, K D.]]
[[Category: Stewart KD]]
[[Category: Stoll, V.]]
[[Category: Stoll V]]
[[Category: Walter, K.]]
[[Category: Walter K]]
[[Category: AB1]]
[[Category: hydrolase]]
 
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Thu Mar 20 12:48:23 2008''

Latest revision as of 10:48, 14 February 2024

Crystal structure of HIV-1 protease complexed with Lopinavir.Crystal structure of HIV-1 protease complexed with Lopinavir.

Structural highlights

1mui 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 2.8Å
Ligands:
Resources:FirstGlance, OCA, PDBe, RCSB, PDBsum, ProSAT

Function

Q903J0_9HIV1

Evolutionary Conservation

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

1mui, resolution 2.80Å

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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