Brand  (β version)

color scheme of protein:

hetatm:

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information
centroid:
interaction residue:

chain: Hide other chain(s)

Ligands
Code Name Link
0LJ N-[(1r,2r)-2-carbamimidamido-2,3-dihydro-1h-inden-1-yl]-N'-(4-chloro-3-fluorophenyl)ethanediamide
EPE 4-(2-hydroxyethyl)-1-piperazine ethanesulfonic acid
NAG N-acetyl-D-glucosamine
Code : 4DKR
Header : VIRAL PROTEIN/INHIBITOR
Title : Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with AWS-I-169
Release Data : 2012-05-02
Compound :
mol_id molecule chains
1 HIV-1 gp120 core A,C
Source :
mol_id organism_scientific organism_common expression_system
1 HUMAN IMMUNODEFICIENCY VIRUS TYPE 1  (taxid:11686) HIV-1 Homo sapiens  (taxid:9606)
strain: clade A/E 93TH057
gene: HIV-1 Env
expression_system_strain: 293F
expression_system_vector_type: plasmid
expression_system_plasmid: pVRC8400
Authors : Kwon, Y.D., LaLonde, J.M., Jones, D.M., Sun, A.W., Courter, J.R., Soeta, T., Kobayashi, T., Princiotto, A.M., Wu, X., Mascola, J., Schon, A., Freire, E., Sodroski, J., Madani, N., Smith III, A.B., Kwong, P.D.
Keywords : HIV-1 gp120, clade A/E, CD4 mimic, AWS-I-169, VIRAL PROTEIN-INHIBITOR complex
Exp. method : X-RAY DIFFRACTION ( 1.800 Å )
Citation :

Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors.

Lalonde, J.M.,Kwon, Y.D.,Jones, D.M.  et al.
(2012)  J.Med.Chem.  55 : 4382 - 4396

PubMed: 22497421
DOI: 10.1021/jm300265j