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| [[Image:2hrp.gif|left|200px]] | | {{Seed}} |
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| {{STRUCTURE_2hrp| PDB=2hrp | SCENE= }} | | {{STRUCTURE_2hrp| PDB=2hrp | SCENE= }} |
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| '''ANTIGEN-ANTIBODY COMPLEX'''
| | ===ANTIGEN-ANTIBODY COMPLEX=== |
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| ==Overview==
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| F11.2.32, a monoclonal antibody raised against HIV-1 protease (Kd = 5 nM), which inhibits proteolytic activity of the enzyme (K(inh) = 35(+/-3)nM), has been studied by crystallographic methods. The three-dimensional structure of the complex between the Fab fragment and a synthetic peptide, spanning residues 36 to 46 of the protease, has been determined at 2.2 A resolution, and that of the Fab in the free state has been determined at 2.6 A resolution. The refined model of the complex reveals ten well-ordered residues of the peptide (P36 to P45) bound in a hydrophobic cavity at the centre of the antigen-binding site. The peptide adopts a beta hairpin-like structure in which residues P38 to P42 form a type II beta-turn conformation. An intermolecular antiparallel beta-sheet is formed between the peptide and the CDR3-H loop of the antibody; additional polar interactions occur between main-chain atoms of the peptide and hydroxyl groups from tyrosine residues protruding from CDR1-L and CDR3-H. Three water molecules, located at the antigen-antibody interface, mediate polar interactions between the peptide and the most buried hypervariable loops, CDR3-L and CDR1-H. A comparison between the free and complexed Fab fragments shows that significant conformational changes occur in the long hypervariable regions, CDR1-L and CDR3-H, upon binding the peptide. The conformation of the bound peptide, which shows no overall structural similarity to the corresponding segment in HIV-1 protease, suggests that F11.2.32 might inhibit proteolysis by distorting the native structure of the enzyme.
| | The line below this paragraph, {{ABSTRACT_PUBMED_9150407}}, adds the Publication Abstract to the page |
| | (as it appears on PubMed at http://www.pubmed.gov), where 9150407 is the PubMed ID number. |
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| | {{ABSTRACT_PUBMED_9150407}} |
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| ==About this Structure== | | ==About this Structure== |
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| [[Category: Fab fragment]] | | [[Category: Fab fragment]] |
| [[Category: Hiv1 protease]] | | [[Category: Hiv1 protease]] |
| ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sun May 4 06:37:53 2008'' | | |
| | ''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Tue Jul 29 04:23:55 2008'' |