Ligand validation:5KUM

PIO: [(2R)-2-octanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phosphoryl]oxy-propyl] octanoate

PIO is a Ligand Of Interest in 5KUM 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
5KUM_PIO_A_401	35%	41%	0.159	0.928	0.74	1.52	-	8	0	0	55%	0.5532
3SPG_PIO_A_400	35%	40%	0.214	0.936	1.16	1.18	2	4	0	0	81%	0.8085
3SPH_PIO_A_400	26%	39%	0.235	0.904	1.19	1.21	2	4	0	0	85%	0.8511
3SPI_PIO_A_400	14%	41%	0.258	0.832	1.12	1.18	2	4	0	0	85%	0.8511
6M84_PIO_A_407	5%	54%	0.234	0.733	0.69	1.08	-	3	1	0	55%	0.5532
4CQK_PIO_N_1048	97%	51%	0.068	0.983	0.94	0.97	2	2	3	0	100%	1
5VYP_PIO_N_101	68%	46%	0.158	0.971	1.17	0.91	6	2	2	0	100%	1
6CS9_PIO_B_101	59%	44%	0.131	0.911	1.21	0.96	6	2	4	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.