title: Probing of CD4 binding pocket of HIV-1 gp120 glycoprotein using unnatural phenylalanine analogues.
abstract: CD4-gp120 interaction is the first step for HIV-1 entry into host cells. A highly conserved pocket in gp120 protein is an attractive target for developing gp120 inhibitors or novel HIV detection tools. Here we incorporate seven phenylalanine derivatives having different sizes and steric conformations into position 43 of domain 1 of CD4 (mD1.2) to explore the architecture of the 'Phe43 cavity' of HIV-1 gp120. The results show that the conserved hydrophobic pocket in gp120 tolerates a hydrophobic side chain of residue 43 of CD protein, which is 12.2 Å in length and 8.0 Å in width. This result provides useful information for developing novel gp120 inhibitors or new HIV detection tools.
authors.affiliation: Center for Personalized Diagnostics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Xiaobo
authors.initials: X
authors.lastname: Yu
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Poulami
authors.initials: P
authors.lastname: Talukder
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Chandrabali
authors.initials: C
authors.lastname: Bhattacharya
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Nour Eddine
authors.initials: NE
authors.lastname: Fahmi
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Jamie A
authors.initials: JA
authors.lastname: Lines
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Larisa M
authors.initials: LM
authors.lastname: Dedkova
authors.affiliation: Center for Personalized Diagnostics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Joshua
authors.initials: J
authors.lastname: LaBaer
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA.
authors.forename: Sidney M
authors.initials: SM
authors.lastname: Hecht
authors.affiliation: Center for BioEnergetics, Biodesign Institute, and Department of Chemistry and Biochemistry, Arizona State University, 1001 South McAllister Avenue, Tempe, AZ 85287, USA. Electronic address: shengxi.chen.1@asu.edu.
authors.forename: Shengxi
authors.initials: S
authors.lastname: Chen
mesh_terms: D001665:Binding Sites; D015704:CD4 Antigens / Q000737:chemistry* / Q000378:metabolism*; D015699:HIV Envelope Protein gp120 / Q000737:chemistry* / Q000378:metabolism*; D006801:Humans; D008958:Models, Molecular; D015394:Molecular Structure; D010649:Phenylalanine / Q000737:chemistry* / Q000378:metabolism*; D011487:Protein Conformation
chemical_list: D015704:CD4 Antigens; D015699:HIV Envelope Protein gp120; D010649:Phenylalanine
keywords: CD4; HIV-1 gp120; Microarray; Phe43 cavity; Phenylalanine derivatives