Ligand validation:3THD

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
3THD_EDO_A_1102	92%	69%	0.088	0.978	0.51	0.67	-	-	1	0	100%	1
3THD_EDO_C_1102	91%	71%	0.086	0.973	1.01	0.14	-	-	0	0	100%	1
3THD_EDO_D_1102	91%	76%	0.09	0.976	0.71	0.26	-	-	0	0	100%	1
3THD_EDO_B_1102	67%	50%	0.117	0.924	0.7	1.22	-	-	1	0	100%	1
3THD_EDO_B_1101	60%	63%	0.122	0.907	0.64	0.76	-	-	1	0	100%	1
3THD_EDO_D_1101	59%	70%	0.118	0.9	0.34	0.82	-	-	5	0	100%	1
3THD_EDO_C_1101	23%	67%	0.194	0.816	0.27	0.99	-	-	2	0	100%	1
3THD_EDO_A_1101	21%	55%	0.212	0.823	0.32	1.38	-	-	3	0	100%	1
3WF4_EDO_C_709	75%	34%	0.123	0.957	0.31	2.24	-	1	0	0	100%	1
3WF2_EDO_D_707	61%	85%	0.164	0.953	0.57	0.18	-	-	0	0	100%	1
6ANS_EDO_A_404	100%	89%	0.029	0.995	0.57	0.07	-	-	0	0	100%	1
4ITB_EDO_A_503	100%	88%	0.028	0.99	0.38	0.29	-	-	0	0	100%	1
4FQI_EDO_A_401	100%	85%	0.032	0.992	0.46	0.29	-	-	0	0	100%	1
4KXW_EDO_A_1003	100%	73%	0.033	0.993	0.64	0.4	-	-	0	0	100%	1
8JK3_EDO_A_304	100%	81%	0.033	0.992	0.22	0.58	-	-	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.