4ORZ

HIV-1 Nef protein in complex with single domain antibody sdAb19 and an 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	Tyrosine-protein kinase HCK	polymer	67	7614.4	1	UniProt (P08631) Pfam (PF00018) In PDB	Homo sapiens (human)	Hematopoietic cell kinase, Hemopoietic cell kinase, p59-HCK/p60-HCK, p59Hck, p61Hck
2	B	Protein Nef	polymer	145	16818.0	1	UniProt (P03407) Pfam (PF00469) In PDB	HIV-1 M:B_ARV2/SF2 (HIV-1)	3'ORF, Negative factor, F-protein, C-terminal core protein
3	C	single domain antibody sdAb19	polymer	120	13007.6	1		Lama glama
4		water	water		18.0	125	Chemie (HOH)

Sequence modifications

A: 77 - 138 (UniProt: P08631)

PDB	External Database	Details
Gly 72	-	expression tag
Ala 73	-	expression tag
His 74	-	expression tag
Met 75	-	expression tag
Gly 76	-	expression tag
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

B: 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
-	Glu 158	deletion
-	Glu 159	deletion
-	Ala 160	deletion
-	Asn 161	deletion
-	Glu 162	deletion
-	Gly 163	deletion
-	Glu 164	deletion
-	Asn 165	deletion
-	Asn 166	deletion
-	Ser 167	deletion
-	Leu 168	deletion
-	Leu 169	deletion
-	His 170	deletion
-	Pro 171	deletion
-	Met 172	deletion
-	Ser 173	deletion
-	Leu 174	deletion
-	His 175	deletion
-	Gly 176	deletion
-	Met 177	deletion
-	Glu 178	deletion
Ala 210	Cys 210	engineered mutation

Contents of the asymmetric unit

Polymers	Number of chains	3
	Total formula weight	37440.0
All*	Total formula weight	37440.0

*Water molecules are not included.