Ligand validation:3DSI

OCT: N-OCTANE

	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
3DSI_OCT_B_5	51%	81%	0.106	0.859	0.26	0.56	-	-	0	0	100%	1
3DSI_OCT_A_2	36%	85%	0.125	0.814	0.23	0.51	-	-	0	0	100%	1
3DSJ_OCT_A_2	36%	86%	0.134	0.824	0.22	0.5	-	-	0	0	100%	1
2WJR_OCT_A_1220	66%	86%	0.119	0.925	0.39	0.33	-	-	0	0	100%	1
4DX5_OCT_C_1103	63%	72%	0.104	0.897	0.3	0.77	-	-	1	0	100%	1
9FZC_OCT_A_201	61%	94%	0.115	0.902	0.25	0.18	-	-	0	0	100%	1
6LM1_OCT_B_308	59%	74%	0.107	0.888	0.28	0.73	-	-	0	0	100%	1
2WJQ_OCT_A_1230	50%	82%	0.157	0.907	0.45	0.36	-	-	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.