1em4: Difference between revisions
No edit summary |
No edit summary |
||
| Line 2: | Line 2: | ||
==COMPUTATIONAL MODEL OF ANTIBODY 4D5 BOUND TO BENZO[A]PYRENE== | ==COMPUTATIONAL MODEL OF ANTIBODY 4D5 BOUND TO BENZO[A]PYRENE== | ||
<StructureSection load='1em4' size='340' side='right' caption='[[1em4]]' scene=''> | <StructureSection load='1em4' size='340' side='right'caption='[[1em4]]' scene=''> | ||
== Structural highlights == | == Structural highlights == | ||
<table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1EM4 FirstGlance]. <br> | <table><tr><td colspan='2'>For a <b>guided tour on the structure components</b> use [http://oca.weizmann.ac.il/oca-docs/fgij/fg.htm?mol=1EM4 FirstGlance]. <br> | ||
| Line 21: | Line 21: | ||
</StructureSection> | </StructureSection> | ||
[[Category: Theoretical Model]] | [[Category: Theoretical Model]] | ||
[[Category: Large Structures]] | |||
[[Category: Pellequer, J.-L]] | [[Category: Pellequer, J.-L]] | ||
[[Category: Roberts, V A]] | [[Category: Roberts, V A]] | ||
Revision as of 10:55, 16 October 2019
 |
COMPUTATIONAL MODEL OF ANTIBODY 4D5 BOUND TO BENZO[A]PYRENECOMPUTATIONAL MODEL OF ANTIBODY 4D5 BOUND TO BENZO[A]PYRENE
Structural highlights
Publication Abstract from PubMedProteins can use aromatic side-chains to stabilize bound cationic ligands through cation-pi interactions. Here, we report the first example of the reciprocal process, termed pi-cation, in which a cationic protein side-chain stabilizes a neutral aromatic ligand. Site-directed mutagenesis revealed that an arginine side-chain located in the deep binding pocket of a monoclonal antibody (4D5) is essential for binding the neutral polynuclear aromatic hydrocarbon benzo[a]pyrene. This Arg was very likely selected for in the primary response, further underscoring the importance of the pi-cation interaction for ligand binding, which should be considered in protein analysis and design when ligands include aromatic groups. Stabilization of bound polycyclic aromatic hydrocarbons by a pi-cation interaction.,Pellequer JL, Zhao B, Kao HI, Bell CW, Li K, Li QX, Karu AE, Roberts VA J Mol Biol. 2000 Sep 22;302(3):691-9. PMID:10986127[1] From MEDLINE®/PubMed®, a database of the U.S. National Library of Medicine. References
|
| ||||||||||||||