Ligand validation:3EJE

HTG: heptyl 1-thio-beta-D-glucopyranoside

HTG is a Ligand Of Interest in 3EJE 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
3EJE_HTG_A_100	97%	9%	0.036	0.986	3.34	1.2	2	1	0	0	79%	0.7895
3EJE_HTG_E_100	95%	17%	0.036	0.985	2.27	1.37	2	1	0	0	74%	0.7368
3EJE_HTG_C_100	93%	74%	0.031	0.99	0.31	0.69	-	-	0	0	63%	0.6316
3EJE_HTG_G_100	91%	74%	0.034	0.986	0.3	0.71	-	-	0	0	63%	0.6316
3EJE_HTG_H_417	71%	29%	0.044	0.987	1.63	1.23	1	1	1	0	32%	0.3158
3EJE_HTG_B_417	67%	32%	0.056	0.985	1.65	1.06	1	-	4	0	32%	0.3158
3EJE_HTG_D_417	66%	29%	0.054	0.981	1.63	1.2	1	-	0	0	32%	0.3158
3EJD_HTG_A_100	98%	9%	0.031	0.991	3.37	1.11	2	1	0	0	79%	0.7895
3EJB_HTG_G_100	62%	6%	0.093	0.922	3.76	1.37	2	1	0	0	79%	0.7895
2HPY_HTG_A_1508	94%	7%	0.068	0.968	2.48	2.29	8	2	1	0	100%	1
5V2C_HTG_O_303	94%	33%	0.072	0.972	1.58	1.07	2	2	0	0	100%	1
3WU2_HTG_O_303	89%	40%	0.092	0.971	1.13	1.22	2	1	0	0	100%	1
5WS6_HTG_b_628	88%	46%	0.076	0.952	0.83	1.23	1	3	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.