Ligand validation:3TI1

EDO: 1,2-ETHANEDIOL

	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
3TI1_EDO_A_303	78%	77%	0.096	0.939	0.5	0.42	-	-	0	0	100%	1
3TI1_EDO_A_300	40%	72%	0.194	0.904	0.36	0.71	-	-	4	0	100%	1
3TI1_EDO_A_307	35%	85%	0.259	0.949	0.43	0.31	-	-	3	0	100%	1
3TI1_EDO_A_306	33%	77%	0.239	0.919	0.44	0.46	-	-	0	0	100%	1
3TI1_EDO_A_301	22%	76%	0.291	0.907	0.42	0.5	-	-	2	0	100%	1
3TI1_EDO_A_304	16%	80%	0.293	0.862	0.48	0.35	-	-	3	0	100%	1
3TI1_EDO_A_302	13%	75%	0.398	0.938	0.48	0.48	-	-	0	0	100%	1
3TI1_EDO_A_305	12%	85%	0.302	0.83	0.46	0.29	-	-	1	0	100%	1
6Q4K_EDO_A_303	73%	13%	0.091	0.919	0.7	3.42	-	2	7	0	100%	1
3QTZ_EDO_A_452	52%	82%	0.148	0.905	0.45	0.34	-	-	0	0	100%	1
3PXF_EDO_A_303	46%	82%	0.113	0.848	0.47	0.33	-	-	0	0	100%	1
4KXW_EDO_A_1003	100%	73%	0.033	0.993	0.64	0.4	-	-	0	0	100%	1
7CJO_EDO_B_1210	100%	83%	0.038	0.99	0.47	0.32	-	-	0	0	100%	1
4O78_EDO_A_202	100%	86%	0.043	0.992	0.4	0.33	-	-	0	0	100%	1
6QRS_EDO_A_401	100%	83%	0.045	0.991	0.47	0.31	-	-	0	0	100%	1
1EB6_EDO_A_1180	100%	64%	0.041	0.986	0.62	0.72	-	-	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.