Ligand validation:3HKW

IX6: (11S)-10-[(2,5-dimethyl-1,3-oxazol-4-yl)carbonyl]-11-{2-fluoro-4-[(2-methylprop-2-en-1-yl)oxy]phenyl}-3,3-dimethyl-2,3,4,5,10,11-hexahydrothiopyrano[3,2-b][1,5]benzodiazepin-6-ol 1,1-dioxide

IX6 is a Ligand Of Interest in 3HKW designated by the RCSB

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

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
3HKW_IX6_B_579	98%	29%	0.061	0.983	1.01	1.92	4	9	0	0	100%	1
3HKW_IX6_A_579	98%	27%	0.062	0.984	0.97	2.1	3	13	0	0	100%	1
3HKW_IX6_C_579	96%	29%	0.067	0.976	0.87	2.08	2	11	0	0	100%	1

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.