Table 4.

Interactions between BVM, 14a, and HIV-1 CA CTD-SP1 protein.

Protein		Ligand		Interaction
Name	Chain: Residue	Name	Residue	Type	Distance [Å]
CTD-SP1 (5I4T)	I:Lys227	BVM	carboxylate	salt bridge	1.90
	J:Lys227		carboxylate	attractive charge	3.67
	I:Pro224		C-21 of betulin	carbon–hydrogen bond	2.90
	J:Lys227		carboxylate	alkyl–alkyl	2.11
	L:Gly223		carboxylate	alkyl–alkyl	2.30
	G:Lys158		C-21 of betulin	alkyl–alkyl	4.69
	L:Pro224		C-21 of betulin	alkyl–alkyl	5.41
	L:Lys158		C-25 of betulin	alkyl–alkyl	5.28
	K:Lys158		C-29 of betulin	alkyl–alkyl	3.67
	K:Lys158		C-30 of betulin	alkyl–alkyl	3.89
	G:Lys158		C-21 of betulin	alkyl–alkyl	4.55
	J:Lys158		C-5′ of BVM	alkyl–alkyl	3.71
	J:Lys158		C-6′ of BVM	alkyl–alkyl	4.76
	I:Lys227	14a	carboxylate	salt bridge	1.99
	G:Lys158		carboxylate	carbon–hydrogen bond	2.98
	K:Lys158		carboxylate	carbon–hydrogen bond	5.18
	J:Lys227		phosphonate	conventional hydrogen bond	2.23
	L:Lys158		phosphonate	conventional hydrogen bond	1.97
	J:Lys227		ethyl	carbon–hydrogen bond	2.40
	L:Lys158		phosphonate	carbon–hydrogen bond	2.19
	J:Gly222		ethyl	carbon–hydrogen bond	3.59
	I:Lys158		C-25 of betulin	alkyl–alkyl	5.23
	K:Lys158		C-24 of betulin	alkyl–alkyl	4.94
	I:Lys158		C-7 of betulin	alkyl–alkyl	4.38
	H:Lys158		ethyl	alkyl–alkyl	5.23
	J:Pro224		ethyl	alkyl–alkyl	4.08
	H:Lys158		ethyl	alkyl–alkyl	3.69