5NUH

Crystal structure of SIVmac239 Nef bound to 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, B (A, B)	Protein Nef	polymer	172	20221.5	2	UniProt (Q5QGG3) Pfam (PF00469)	Simian immunodeficiency virus (SIV)
2	C, D (C, D)	Tyrosine-protein kinase HCK,Tyrosine-protein kinase HCK	polymer	60	6994.8	2	UniProt (P08631) Pfam (PF00018)	Homo sapiens (Human)	Hematopoietic cell kinase,Hemopoietic cell kinase,p59-HCK/p60-HCK,p59Hck,p61Hck,Hematopoietic cell kinase,Hemopoietic cell kinase,p59-HCK/p60-HCK,p59Hck,p61Hck
3	E, F, G, H (A, B, C, D)	water	water		18.0	55	Chemie (HOH)

Sequence modifications

A, B: 68 - 235 (UniProt: Q5QGG3)

PDB	External Database	Details
Gly 64	-	expression tag
Ala 65	-	expression tag
Met 66	-	expression tag
Ala 67	-	expression tag
Glu 93	Glx 93	conflict

C, D: 78 - 90 (UniProt: P08631)

PDB	External Database	Details
Met 78	Ser 78	initiating methionine

C, D: 96 - 138 (UniProt: P08631)

PDB	External Database	Details
Gly 91	-	linker
Trp 92	-	linker
Trp 93	-	linker
Gly 94	-	linker

Contents of the asymmetric unit

Polymers	Number of chains	4
	Total formula weight	54432.7
All*	Total formula weight	54432.7

*Water molecules are not included.