6U8L

Discovery and optimization of salicyclic acid-derived sulfonamide inhibitors of the WDR5:MYC protein-protein interaction

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B	WD repeat-containing protein 5	polymer	304	33492.0	2	UniProt (P61964) Pfam (PF00400) In PDB	Homo sapiens (Human)	BMP2-induced 3-kb gene protein
2	A, B	3-{[(5-bromo-2-hydroxyphenyl)sulfonyl]amino}-5-cyclopropyl-6-fluoro-2-hydroxybenzoic acid	non-polymer		446.2	2	Chemie (Q1P)
3	A, B	N-[2-(4-methylpiperazin-1-yl)-5-nitrophenyl]isoquinolin-1-amine	non-polymer		363.4	2	Chemie (Q1S)
4		water	water		18.0	678	Chemie (HOH)

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	66984.0
Non-Polymers*	Number of molecules	4
	Total formula weight	1619.3
All*	Total formula weight	68603.4

*Water molecules are not included.