5C45

Selective Small Molecule Inhibition of the FMN Riboswitch

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	X	FMN Riboswitch	polymer	54	17455.4	1	GenBank (20095250)	Fusobacterium nucleatum
2	Y	FMN Riboswitch	polymer	56	18092.8	1	GenBank (20095250)	Fusobacterium nucleatum
3	X, Y	POTASSIUM ION	non-polymer		39.1	6	Chemie (K)
4	X, Y	MAGNESIUM ION	non-polymer		24.3	2	Chemie (MG)
5	X	(6M)-2-[(3S)-1-{[2-(methylamino)pyrimidin-5-yl]methyl}piperidin-3-yl]-6-(thiophen-2-yl)pyrimidin-4-ol	non-polymer		382.5	1	Chemie (51B)

Sequence modifications

X: 3 - 51 (GenBank: 20095250)

PDB	External Database	Details
G 1	-	insertion
G 2	-	insertion
C 52	-	insertion
U 53	-	insertion
U 54	-	insertion

Y: 57 - 109 (GenBank: 20095250)

PDB	External Database	Details
U 110	-	insertion
U 111	-	insertion
C 112	-	insertion

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	35548.2
Non-Polymers*	Number of molecules	9
	Total formula weight	665.7
All*	Total formula weight	36213.8

*Water molecules are not included.