5EA3

Crystal Structure of Inhibitor JNJ-2408068 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)	Fusion glycoprotein F0	polymer	568	63218.3	1	UniProt (P03420) Pfam (PF00523)	Human respiratory syncytial virus A (strain A2)	Protein F
2	B (F)	2-[N-CYCLOHEXYLAMINO]ETHANE SULFONIC ACID	non-polymer		207.3	1	Chemie (NHE)
3	C, D, E, F, G... (F)	SULFATE ION	non-polymer		96.1	6	Chemie (SO4)
4	I (F)	2-[[2-[[1-(2-azanylethyl)piperidin-4-yl]amino]-4-methyl-benzimidazol-1-yl]methyl]-6-methyl-pyridin-3-ol	non-polymer		394.5	1	Chemie (5NK)
5	J (F)	water	water		18.0	36	Chemie (HOH)

Sequence modifications

F: 1 - 513 (UniProt: P03420)

PDB	External Database	Details
Ala 102	Pro 102	variant
Cys 155	Ser 155	engineered mutation
Phe 190	Ser 190	engineered mutation
Leu 207	Val 207	engineered mutation
Cys 290	Ser 290	engineered mutation
Val 379	Ile 379	variant
Val 447	Met 447	variant
Ser 514	-	expression tag
Ala 515	-	expression tag
Ile 516	-	expression tag
Gly 517	-	expression tag
Gly 518	-	expression tag
Tyr 519	-	expression tag
Ile 520	-	expression tag
Pro 521	-	expression tag
Glu 522	-	expression tag
Ala 523	-	expression tag
Pro 524	-	expression tag
Arg 525	-	expression tag
Asp 526	-	expression tag
Gly 527	-	expression tag
Gln 528	-	expression tag
Ala 529	-	expression tag
Tyr 530	-	expression tag
Val 531	-	expression tag
Arg 532	-	expression tag
Lys 533	-	expression tag
Asp 534	-	expression tag
Gly 535	-	expression tag
Glu 536	-	expression tag
Trp 537	-	expression tag
Val 538	-	expression tag
Leu 539	-	expression tag
Leu 540	-	expression tag
Ser 541	-	expression tag
Thr 542	-	expression tag
Phe 543	-	expression tag
Leu 544	-	expression tag
Gly 545	-	expression tag
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	1178.2
All*	Total formula weight	64396.5

*Water molecules are not included.