Ligand validation:3S5Y

2PE: NONAETHYLENE GLYCOL

	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
3S5Y_2PE_B_811	13%	89%	0.264	0.809	0.49	0.17	-	-	0	0	100%	1
3S5Y_2PE_A_813	13%	90%	0.169	0.826	0.47	0.15	-	-	0	0	36%	0.3571
3S5Y_2PE_B_810	5%	87%	0.297	0.791	0.47	0.23	-	-	0	0	57%	0.5714
3S5Y_2PE_B_812	2%	84%	0.21	0.644	0.55	0.23	-	-	2	0	25%	0.25
3S5Y_2PE_B_815	1%	85%	0.364	0.59	0.49	0.25	-	-	0	0	36%	0.3571
3HG3_2PE_A_821	32%	86%	0.166	0.898	0.46	0.26	-	-	5	0	68%	0.6786
3TV8_2PE_A_11	9%	89%	0.256	0.901	0.45	0.2	-	-	0	0	14%	14.29
5V2O_2PE_A_102	95%	52%	0.076	0.979	0.79	1.06	-	1	0	0	100%	1
2C4B_2PE_A_1145	81%	60%	0.062	0.959	0.63	0.9	-	-	0	0	75%	0.75
3NYY_2PE_A_280	76%	75%	0.106	0.943	0.54	0.43	-	-	0	0	100%	1
1Y89_2PE_B_242	74%	70%	0.105	0.936	0.45	0.71	-	-	2	0	100%	1
7EHS_2PE_A_517	74%	86%	0.096	0.926	0.27	0.45	-	-	0	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.