Ligand validation:4Y45

F91: N-(pyridin-4-ylmethyl)-2,3-dihydro-1,4-benzodioxin-6-amine

F91 is a Ligand Of Interest in 4Y45 designated by the RCSB

	Best-fitted instance in this entry
	Other instances in this entry

	Best-fitted instance in this entry
	Best-fitted PDB instances with same target (top 5)

	Best-fitted instance in this entry
	Best-fitted PDB instances with different target (top 5)

Identifier	Ranking for goodness of fit	Ranking for geometry	Real space R factor	Real space correlation coefficient	RMSZ-bond-length	RMSZ-bond-angle	Outliers of bond length	Outliers of bond angle	Atomic clashes	Stereochemical errors	Model completeness	Average occupancy
4Y45_F91_A_405	93%	91%	0.072	0.965	0.21	0.35	-	-	1	0	100%	1
4Y45_F91_A_406	29%	92%	0.129	0.833	0.2	0.33	-	-	0	0	72%	0.52
3PI0_F91_A_2001	47%	65%	0.166	0.906	0.57	0.76	-	1	3	0	100%	1
5RP7_F91_A_1002	0%	11%	0.739	0.062	2.42	1.98	7	6	0	0	100%	0.45

RCSB PDB Core Operations are funded by the National Science Foundation (DBI-1832184), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM133198.