3RBB

HIV-1 NEF protein in complex with engineered HCK SH3 domain

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, C	Protein Nef	polymer	166	19140.5	2	UniProt (P03407) Pfam (PF00469) In PDB	HIV-1 M:B_ARV2/SF2 (HIV-1)	3'ORF, Negative factor, F-protein, C-terminal core protein
2	B, D	Tyrosine-protein kinase HCK	polymer	61	7147.0	2	UniProt (P08631) Pfam (PF00018) In PDB	Homo sapiens (human)	Hemopoietic cell kinase, p59-HCK/p60-HCK
3	A, C	1,2-ETHANEDIOL	non-polymer		62.1	2	Chemie (EDO)
4		water	water		18.0	208	Chemie (HOH)

Sequence modifications

A, C: 45 - 210 (UniProt: P03407)

PDB	External Database	Details
Met 47	Ile 47	engineered mutation
Ala 48	Thr 48	engineered mutation
Ser 59	Cys 59	engineered mutation
Ala 210	Cys 210	engineered mutation

B, D: 79 - 138 (UniProt: P08631)

PDB	External Database	Details
Met 78	-	initiating methionine
Tyr 90	Glu 90	engineered mutation
Ser 91	Ala 91	engineered mutation
Pro 92	Ile 92	engineered mutation
Phe 93	His 93	engineered mutation
Ser 94	His 94	engineered mutation
Trp 95	Glu 95	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	52574.9
Non-Polymers*	Number of molecules	2
	Total formula weight	124.1
All*	Total formula weight	52699.0

*Water molecules are not included.