Ligand validation:4D31

OLW: 3-[({2-[2-(1H-imidazol-1-yl)pyrimidin-4-yl]ethyl}amino)methyl]benzonitrile

OLW is a Ligand Of Interest in 4D31 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
4D31_OLW_B_800	56%	13%	0.19	0.962	1.87	2.09	4	9	1	0	100%	1
4D31_OLW_A_800	35%	12%	0.257	0.947	1.89	2.17	5	12	1	0	100%	1
4UCH_OLW_B_800	66%	12%	0.158	0.965	1.97	2.09	4	10	0	0	100%	1
4D39_OLW_A_800	94%	10%	0.064	0.965	1.92	2.39	5	9	2	0	100%	1

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.