6VKE

Crystal Structure of Inhibitor JNJ-40012665 in Complex with Prefusion RSV F Glycoprotein

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A (F)	Prefusion RSV F (DS-Cav1)	polymer	568	63218.3	1	UniProt (W8RJF9) UniProt (M1E1E4) Pfam (PF00523) Pfam (PF07921) UniProt (by SIFTS) (P03420)	Human respiratory syncytial virus
2	B (F)	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	1	Chemie (NHE)
3	C (F)	4-(5-chloro-2-{[1-(3,4-dimethoxyphenyl)-2-oxo-1,2-dihydro-3H-imidazo[4,5-c]pyridin-3-yl]methyl}-1H-indol-1-yl)butanenitrile	non-polymer		502.0	1	Chemie (R0S)
4	D, E (F)	CHLORIDE ION	non-polymer		35.5	2	Chemie (CL)
5	F, G, H, I (F)	SULFATE ION	non-polymer		96.1	4	Chemie (SO4)
6	J (F)	water	water		18.0	333	Chemie (HOH)

Sequence modifications

F: 1 - 513 (UniProt: W8RJF9)

PDB	External Database	Details
Glu 66	Lys 66	conflict
Cys 155	Ser 155	conflict
Phe 190	Ser 190	conflict
Leu 207	Val 207	conflict
Cys 290	Ser 290	conflict
Ser 514	-	linker
Ala 515	-	linker
Ile 516	-	linker
Gly 517	-	linker

F: 518 - 545 (UniProt: M1E1E4)

PDB	External Database	Details
Gly 546	-	expression tag
Leu 547	-	expression tag
Val 548	-	expression tag
Pro 549	-	expression tag
Arg 550	-	expression tag
Gly 551	-	expression tag
Ser 552	-	expression tag
His 553	-	expression tag
His 554	-	expression tag
His 555	-	expression tag
His 556	-	expression tag
His 557	-	expression tag
His 558	-	expression tag
Ser 559	-	expression tag
Ala 560	-	expression tag
Trp 561	-	expression tag
Ser 562	-	expression tag
His 563	-	expression tag
Pro 564	-	expression tag
Gln 565	-	expression tag
Phe 566	-	expression tag
Glu 567	-	expression tag
Lys 568	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	1
	Total formula weight	63218.3
Non-Polymers*	Number of molecules	8
	Total formula weight	1164.4
All*	Total formula weight	64382.8

*Water molecules are not included.