Ligand validation:3T6E

HTO: HEPTANE-1,2,3-TRIOL

	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
3T6E_HTO_H_266	27%	54%	0.186	0.833	0.38	1.38	-	2	0	0	100%	0.9
3T6E_HTO_L_275	23%	11%	0.231	0.856	0.9	3.27	-	4	0	0	100%	0.6
3T6E_HTO_L_274	13%	41%	0.278	0.823	0.69	1.6	-	4	0	0	100%	0.75
3T6E_HTO_C_349	9%	60%	0.221	0.716	0.59	0.92	-	-	4	0	100%	0.7
3T6E_HTO_H_267	7%	59%	0.256	0.718	0.54	1.01	-	-	1	0	100%	0.75
3T6E_HTO_H_268	2%	43%	0.408	0.688	0.34	1.83	-	2	1	0	100%	0.5
3T6E_HTO_M_332	0%	12%	0.846	0.886	0.56	3.41	-	6	0	0	100%	0.5
3T6E_HTO_C_348	0%	41%	0.615	0.571	0.42	1.85	-	2	9	0	100%	0.5
3G7F_HTO_H_705	75%	66%	0.1	0.933	0.42	0.87	-	-	1	0	100%	1
6ZIA_HTO_H_710	53%	51%	0.138	0.899	0.85	1.04	-	1	0	0	100%	1
5O64_HTO_H_308	44%	46%	0.157	0.885	0.83	1.26	-	2	0	0	100%	1
6ZID_HTO_H_710	40%	51%	0.157	0.865	0.85	1.04	-	1	0	0	100%	1
6ZI6_HTO_H_710	36%	51%	0.17	0.86	0.85	1.04	-	1	0	0	100%	1
2HPY_HTO_B_1401	79%	28%	0.104	0.95	1.81	1.1	2	1	1	0	100%	1
5IU8_HTO_A_2402	59%	12%	0.141	0.922	0.51	3.53	-	3	0	0	100%	1
3DTU_HTO_B_1	59%	73%	0.153	0.934	0.21	0.82	-	-	1	1	100%	1
4TSY_HTO_A_209	57%	40%	0.161	0.937	0.59	1.71	-	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.