Ligand validation:5W39

9UM: 3-(bromomethyl)-2,5,6-trimethyl-1H,7H-pyrazolo[1,2-a]pyrazole-1,7-dione

9UM is a Ligand Of Interest in 5W39 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
5W39_9UM_A_304	32%	40%	0.195	0.88	1.02	1.32	2	2	0	0	93%	0.9
5W30_9UM_A_304	11%	36%	0.4	0.926	0.83	1.65	-	6	0	0	100%	1
9KTF_9UM_A_401	81%	59%	0.077	0.927	0.63	0.92	-	1	0	0	100%	0.78
9KTE_9UM_A_413	51%	62%	0.111	0.862	0.67	0.79	-	-	0	0	100%	0.7
9KTB_9UM_A_401	43%	47%	0.121	0.843	0.94	1.12	1	2	2	0	100%	1
9KTD_9UM_A_408	21%	38%	0.15	0.754	1.21	1.21	1	2	1	0	100%	0.63
9KTG_9UM_A_401	19%	51%	0.159	0.754	0.72	1.17	-	3	0	0	100%	0.77

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.