Ligand validation:4X31

LI1: 1-[2,6,10.14-TETRAMETHYL-HEXADECAN-16-YL]-2-[2,10,14-TRIMETHYLHEXADECAN-16-YL]GLYCEROL

LI1 is a Ligand Of Interest in 4X31 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
4X31_LI1_A_612	25%	79%	0.162	0.906	0.52	0.34	-	-	1	0	40%	0.4
4X31_LI1_A_614	18%	87%	0.138	0.856	0.43	0.27	-	-	0	0	24%	0.2444
4X31_LI1_A_616	12%	82%	0.166	0.833	0.5	0.3	-	-	0	0	24%	0.2444
4X31_LI1_A_615	12%	92%	0.141	0.823	0.33	0.21	-	-	0	0	13%	13.33
4X31_LI1_A_613	8%	75%	0.209	0.79	0.61	0.37	-	-	0	0	36%	0.3556
3T45_LI1_B_604	36%	62%	0.142	0.852	0.6	0.85	-	1	3	0	89%	0.8889
2I20_LI1_A_613	34%	60%	0.121	0.929	0.48	1.04	-	1	0	1	29%	0.2889
6G7I_LI1_A_305	27%	63%	0.09	0.884	0.72	0.68	-	-	1	0	18%	17.78
3NSB_LI1_A_1008	26%	77%	0.097	0.897	0.3	0.6	-	-	0	0	11%	11.110000000000001
6G7H_LI1_A_306	25%	62%	0.131	0.896	0.63	0.82	-	-	0	0	27%	0.2667
4JQ6_LI1_B_302	27%	78%	0.11	0.883	0.28	0.6	-	-	2	0	29%	0.2889

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.