4DKQ

Crystal structure of clade A/E 93TH057 HIV-1 gp120 core in complex with DMJ-I-228

Summary for 4DKQ

Entry DOI	10.2210/pdb4dkq/pdb
Related	4DKO 4DKP 4DKR
Descriptor	clade A/E 93TH057 HIV-1 gp120 core, 2-acetamido-2-deoxy-beta-D-glucopyranose, 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, ... (5 entities in total)
Functional Keywords	hiv-1 gp120, clade a/e, cd4 mimic, dmj-i-228, viral protein-inhibitor complex, viral protein/inhibitor
Biological source	HUMAN IMMUNODEFICIENCY VIRUS TYPE 1 (HIV-1)
Total number of polymer chains	1
Total formula weight	42221.77
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. (deposition date: 2012-02-03, release date: 2012-05-02, Last modification date: 2023-12-27)
Primary citation	Lalonde, J.M.,Kwon, Y.D.,Jones, D.M.,Sun, A.W.,Courter, J.R.,Soeta, T.,Kobayashi, T.,Princiotto, A.M.,Wu, X.,Schon, A.,Freire, E.,Kwong, P.D.,Mascola, J.R.,Sodroski, J.,Madani, N.,Smith, A.B. Structure-Based Design, Synthesis, and Characterization of Dual Hotspot Small-Molecule HIV-1 Entry Inhibitors. J.Med.Chem., 55:4382-4396, 2012 Cited by PubMed: 22497421 DOI: 10.1021/jm300265j PDB entries with the same primary citation
Experimental method	X-RAY DIFFRACTION (1.888 Å)

Structure validation