1lzq

From Proteopedia

(Difference between revisions)
Jump to: navigation, search
Line 1: Line 1:
-
[[Image:1lzq.jpg|left|200px]]
+
{{Seed}}
 +
[[Image:1lzq.png|left|200px]]
<!--
<!--
Line 9: Line 10:
{{STRUCTURE_1lzq| PDB=1lzq | SCENE= }}
{{STRUCTURE_1lzq| PDB=1lzq | SCENE= }}
-
'''Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2'''
+
===Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2===
-
==Overview==
+
<!--
-
An X-ray structure (resolution 2.2 A) of mutant HIV-1 protease (A71V, V82T, I84V) complexed with a newly developed peptidomimetic inhibitor with an ethylenamine isostere Boc-Phe-Psi[CH(2)CH(2)NH]-Phe-Glu-Phe-NH(2), denoted as OE, is described and compared with the complex of wild-type HIV-1 protease with the same inhibitor (resolution 2.5 A). OE shows tight binding to the wild type (K(i) = 1.5 nM) as well as mutant (K(i) = 4.1 nM) protease. The hydrogen bonds formed, in the case of hydroxyethylamine inhibitors, by a hydroxyl group are, in the case of OE inhibitors, replaced by a bifurcated hydrogen bond from the isosteric NH group to both catalytic aspartates Asp 25 and Asp 125. The binding modes of OE inhibitor to the wild type and mutant protease are similar. However, in the mutant protease, weaker van der Waals interactions of the mutated residues Val 84 and Val 184 with OE were found. This lack of interaction energy is compensated by a new aromatic hydrogen bond between the phenyl ring of the inhibitor in position P1 and the mutated residue Thr 182. Energy analysis based on molecular mechanics has been performed to distinguish between the static and dynamic backgrounds of disorder observed at the mutation sites Thr 82, Val 84, Thr 182, and Val 184.
+
The line below this paragraph, {{ABSTRACT_PUBMED_12699382}}, adds the Publication Abstract to the page
 +
(as it appears on PubMed at http://www.pubmed.gov), where 12699382 is the PubMed ID number.
 +
-->
 +
{{ABSTRACT_PUBMED_12699382}}
==About this Structure==
==About this Structure==
Line 37: Line 41:
[[Category: Peptidomimetic]]
[[Category: Peptidomimetic]]
[[Category: Protease]]
[[Category: Protease]]
-
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Sat May 3 00:27:32 2008''
+
 
 +
''Page seeded by [http://oca.weizmann.ac.il/oca OCA ] on Wed Jul 2 22:53:36 2008''

Revision as of 19:53, 2 July 2008

Image:1lzq.png

Template:STRUCTURE 1lzq

Crystal structure of the complex of mutant HIV-1 protease (A71V, V82T, I84V) with an ethylenamine peptidomimetic inhibitor BOC-PHE-PSI[CH2CH2NH]-PHE-GLU-PHE-NH2

Template:ABSTRACT PUBMED 12699382

About this Structure

1LZQ is a Single protein structure of sequence from Human immunodeficiency virus. Full crystallographic information is available from OCA.

Reference

An ethylenamine inhibitor binds tightly to both wild type and mutant HIV-1 proteases. Structure and energy study., Skalova T, Hasek J, Dohnalek J, Petrokova H, Buchtelova E, Duskova J, Soucek M, Majer P, Uhlikova T, Konvalinka J, J Med Chem. 2003 Apr 24;46(9):1636-44. PMID:12699382

Page seeded by OCA on Wed Jul 2 22:53:36 2008

Proteopedia Page Contributors and Editors (what is this?)

OCA

Retrieved from "http://52.214.119.220/wiki/index.php/1lzq"
Personal tools