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_C_100	40%	73%	0.153	0.929	0.31	0.71	-	-	0	0	63%	0.6316
3EJE_HTG_E_100	30%	16%	0.174	0.886	2.52	1.37	2	1	0	0	74%	0.7368
3EJE_HTG_H_417	25%	27%	0.197	0.956	1.89	1.2	1	1	1	0	32%	0.3158
3EJE_HTG_D_417	20%	28%	0.169	0.892	1.89	1.17	1	-	0	0	32%	0.3158
3EJE_HTG_A_100	17%	7%	0.226	0.84	3.65	1.39	2	1	0	0	79%	0.7895
3EJE_HTG_B_417	16%	30%	0.198	0.892	1.9	1.02	1	-	4	0	32%	0.3158
3EJE_HTG_G_100	16%	73%	0.188	0.82	0.31	0.72	-	-	0	0	63%	0.6316
3EJB_HTG_G_100	62%	7%	0.093	0.922	3.76	1.37	2	1	0	0	79%	0.7895
3EJD_HTG_A_100	42%	7%	0.154	0.912	3.69	1.28	2	1	0	0	79%	0.7895
5V2C_HTG_O_303	94%	35%	0.072	0.972	1.58	1.07	2	2	0	0	100%	1
3WU2_HTG_O_303	89%	38%	0.092	0.971	1.17	1.32	2	1	0	0	100%	1
8IR7_HTG_b_625	81%	38%	0.086	0.939	0.97	1.5	2	3	0	0	100%	1
8IR6_HTG_b_625	81%	37%	0.088	0.941	1.07	1.48	2	4	0	0	100%	1
8IRA_HTG_B_625	81%	46%	0.097	0.95	0.97	1.12	2	2	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 R01GM133198.