9SJP

Single-chain chimeric protein mimicking the interaction between HR1 and HR2 in HIV gp41 bound to ANS

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)	Transmembrane protein gp41,Y26L-covNHR	polymer	205	23678.8	2	UniProt (P03377) Pfam (PF00517)	Human immunodeficiency virus 1	TM,Glycoprotein 41,gp41
2	C, E (A, B)	8-ANILINO-1-NAPHTHALENE SULFONATE	non-polymer		299.3	2	Chemie (2AN) PubChem (1369)
3	D, G, H (A, B)	SULFATE ION	non-polymer		96.1	3	Chemie (SO4)
4	F (B)	ANILINE	non-polymer		93.1	1	Chemie (ANL) PubChem (6115)
5	I, J (A, B)	water	water		18.0	470	Chemie (HOH)

Sequence modifications

A, B: 2 - 27 (UniProt: P03377)

PDB	External Database	Details
Met 1	-	initiating methionine

A, B: 31 - 83 (UniProt: P03377)

PDB	External Database	Details
Gly 28	-	linker
Glu 29	-	linker
Gly 30	-	linker
Glu 31	Gln 545	engineered mutation
Glu 35	Leu 549	engineered mutation
Lys 42	Gln 556	engineered mutation
Gln 49	Ala 563	engineered mutation
Ser 62	Trp 576	engineered mutation
Lys 63	Gly 577	engineered mutation

A, B: 84 - 145 (PDB: 9SJP)
A, B: 146 - 194 (UniProt: P03377)

PDB	External Database	Details
Asp 151	Val 554	engineered mutation
Lys 158	Leu 561	engineered mutation
Lys 165	Gln 568	engineered mutation
Gly 195	-	expression tag
Gly 196	-	expression tag
Gly 197	-	expression tag
Gly 198	-	expression tag
Ser 199	-	expression tag
His 200	-	expression tag
His 201	-	expression tag
His 202	-	expression tag
His 203	-	expression tag
His 204	-	expression tag
His 205	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	47357.6
Non-Polymers*	Number of molecules	6
	Total formula weight	980.0
All*	Total formula weight	48337.6

*Water molecules are not included.