Ligand validation:3E4A

DIO: 1,4-DIETHYLENE DIOXIDE

	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
3E4A_DIO_A_2002	81%	56%	0.119	0.973	1.04	0.63	-	-	3	0	100%	1
3E4A_DIO_B_2002	73%	74%	0.157	0.986	0.68	0.32	-	-	1	0	100%	1
3E4A_DIO_B_2004	60%	54%	0.17	0.958	1.19	0.61	-	-	0	0	100%	1
3E4A_DIO_A_2003	41%	57%	0.226	0.945	1.07	0.59	-	-	12	0	100%	1
3E4A_DIO_B_2005	41%	52%	0.2	0.917	1.37	0.51	-	-	0	0	100%	1
3E4A_DIO_B_2006	40%	64%	0.214	0.927	1.06	0.3	-	-	0	0	100%	1
3E4A_DIO_B_2003	39%	57%	0.226	0.934	0.96	0.68	-	-	2	0	100%	1
3OFI_DIO_B_2013	94%	55%	0.076	0.974	0.62	1.11	-	1	1	0	100%	1
7K1F_DIO_B_1103	86%	65%	0.096	0.965	0.67	0.64	-	-	0	0	100%	1
7K1E_DIO_B_1103	78%	65%	0.144	0.988	0.71	0.63	-	-	0	0	100%	1
2WC0_DIO_B_3014	61%	40%	0.161	0.95	0.85	1.55	-	2	1	0	100%	1
3H44_DIO_B_2002	43%	61%	0.246	0.974	0.52	0.96	-	-	0	0	100%	1
4DOD_DIO_A_501	99%	57%	0.052	0.982	0.58	1.07	-	1	0	0	100%	1
4DOE_DIO_A_501	98%	41%	0.055	0.976	0.61	1.7	-	1	0	0	100%	1
5MJC_DIO_A_203	98%	53%	0.058	0.978	0.71	1.12	-	1	0	0	100%	1
3WEU_DIO_A_804	97%	50%	0.059	0.973	0.77	1.14	-	1	0	0	100%	1
2OFP_DIO_A_701	94%	60%	0.071	0.97	0.63	0.86	-	-	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.