3REB

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 (A, C)	Protein Nef	polymer	166	19140.5	2	UniProt (P03407) Pfam (PF00469)	HIV-1 M:B_ARV2/SF2 (HIV-1)	3'ORF, Negative factor, F-protein, C-terminal core protein
2	B, D (B, D)	Tyrosine-protein kinase HCK	polymer	90	10280.6	2	UniProt (P08631) Pfam (PF00018)	Homo sapiens (human)	Hemopoietic cell kinase, p59-HCK/p60-HCK

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
Val 90	Glu 90	engineered mutation
Ser 91	Ala 91	engineered mutation
Trp 92	Ile 92	engineered mutation
Ser 93	His 93	engineered mutation
Pro 94	His 94	engineered mutation
Asp 95	Glu 95	engineered mutation
Gly 139	-	expression tag
Gly 140	-	expression tag
Gly 141	-	expression tag
Thr 142	-	expression tag
Ser 143	-	expression tag
Gly 144	-	expression tag
Gly 145	-	expression tag
Gly 146	-	expression tag
Arg 147	-	expression tag
His 148	-	expression tag
Arg 149	-	expression tag
Arg 150	-	expression tag
Arg 151	-	expression tag
Gln 152	-	expression tag
Ala 153	-	expression tag
Glu 154	-	expression tag
Arg 155	-	expression tag
Met 156	-	expression tag
Ser 157	-	expression tag
Gln 158	-	expression tag
Ile 159	-	expression tag
Lys 160	-	expression tag
Arg 161	-	expression tag
Leu 162	-	expression tag
Leu 163	-	expression tag
Ser 164	-	expression tag
Glu 165	-	expression tag
Lys 166	-	expression tag
Lys 167	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	58842.1
All*	Total formula weight	58842.1

*Water molecules are not included.