Ligand validation:4CX5

HW8: 4-methyl-6-{[(3R,4R)-4-{[5-(pyridin-2-yl)pentyl]oxy}pyrrolidin-3-yl]methyl}pyridin-2-amine

HW8 is a Ligand Of Interest in 4CX5 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
4CX5_HW8_B_800	53%	34%	0.162	0.922	0.72	1.85	-	6	0	0	100%	1
4CX5_HW8_A_800	27%	24%	0.198	0.844	0.69	2.36	-	8	1	0	100%	1
3UFU_HW8_B_800	56%	35%	0.136	0.909	0.67	1.85	-	7	2	0	100%	1
4CX3_HW8_B_800	18%	30%	0.26	0.851	0.68	2.07	-	6	3	0	100%	1
4CWV_HW8_A_800	92%	33%	0.069	0.959	0.84	1.8	-	7	3	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.