2I60

Crystal structure of [Phe23]M47, a scorpion-toxin mimic of CD4, in complex with HIV-1 YU2 GP120 envelope glycoprotein and anti-HIV-1 antibody 17B

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, E (G, P)	EXTERIOR MEMBRANE GLYCOPROTEIN(GP120)	polymer	313	34838.7	2	UniProt (P35961) Pfam (PF00516)	Human immunodeficiency virus 1	HIV-1 YU2 GP120
2	B, F (L, Q)	ANTIBODY 17B LIGHT CHAIN	polymer	214	23399.9	2		Homo sapiens (human)
3	C, G (H, R)	ANTIBODY 17B HEAVY CHAIN	polymer	229	24457.4	2		Homo sapiens (human)
4	D, H (M, S)	[PHE23]M47, SCORPION-TOXIN MIMIC OF CD4	polymer	27	2945.6	2		synthetic construct
5	I, J, K, L, M... (G, P)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	16	Chemie (NAG)
6	Q, Z (G, P)	ISOPROPYL ALCOHOL	non-polymer		60.1	2	Chemie (IPA)
7	AA, BA, CA, DA, EA... (G, L, H, M, P...)	water	water		18.0	485	Chemie (HOH)

Sequence modifications

G, P: 83 - 127 (UniProt: P35961)

PDB	External Database	Details
Gly 79	-	cloning artifact
Ala 80	-	cloning artifact
Arg 81	-	cloning artifact
Ser 82	-	cloning artifact

G, P: 195 - 297 (UniProt: P35961)

PDB	External Database	Details
Gly 128	-	linker
Ala 129	-	linker
Gly 194	-	linker

G, P: 330 - 492 (UniProt: P35961)

PDB	External Database	Details
Gly 298	-	linker
Ala 299	-	linker
Gly 329	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	8
	Total formula weight	171283.2
Non-Polymers*	Number of molecules	18
	Total formula weight	3659.5
All*	Total formula weight	174942.8

*Water molecules are not included.