Ligand validation:8Q12

IKN: (3~{R},5~{R})-5-[3-(2-aminophenyl)-1,2,4-oxadiazol-5-yl]-3-[2-[[methyl(prop-2-ynyl)amino]methyl]-1,3-thiazol-4-yl]pyrrolidin-3-ol

IKN is a Ligand Of Interest in 8Q12 designated by the Author

	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
8Q12_IKN_A_401	30%	1%	0.171	0.832	6.25	2.07	9	5	0	0	100%	1
8Q12_IKN_A_413	5%	23%	0.177	0.698	1.32	1.87	2	2	0	0	41%	0.3029

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), 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 R01GM157729.