Ligand validation:5A44

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 5A44 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
5A44_LI1_A_1236	23%	83%	0.118	0.899	0.33	0.44	-	-	0	0	11%	11.110000000000001
5A44_LI1_A_1232	21%	84%	0.15	0.909	0.31	0.45	-	-	0	0	16%	15.559999999999999
5A44_LI1_A_1235	20%	77%	0.132	0.885	0.35	0.57	-	-	0	0	16%	15.559999999999999
5A44_LI1_A_1231	16%	82%	0.131	0.851	0.3	0.5	-	-	0	0	16%	15.559999999999999
5A44_LI1_A_1233	10%	71%	0.202	0.856	0.24	0.87	-	-	0	0	20%	0.2
5A44_LI1_A_1230	9%	72%	0.231	0.84	0.37	0.71	-	-	0	0	36%	0.3556
5A44_LI1_A_1238	9%	87%	0.193	0.837	0.41	0.29	-	-	0	0	11%	11.110000000000001
5A44_LI1_A_1239	7%	81%	0.165	0.783	0.33	0.48	-	-	0	0	11%	11.110000000000001
5A44_LI1_A_1234	7%	69%	0.197	0.806	0.34	0.85	-	-	0	0	16%	15.559999999999999
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
3NSB_LI1_A_1008	26%	77%	0.097	0.897	0.3	0.6	-	-	0	0	11%	11.110000000000001
4X32_LI1_A_303	24%	89%	0.135	0.9	0.4	0.25	-	-	0	0	22%	0.2222
6RQP_LI1_A_502	23%	64%	0.134	0.905	0.66	0.71	-	-	2	0	18%	17.78
1S8J_LI1_A_605	20%	68%	0.156	0.908	0.49	0.75	-	-	0	0	18%	17.78

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.