Ligand validation:4CX2

HW1: 6-[5-({(3R,4R)-4-[(6-amino-4-methylpyridin-2-yl)methyl]pyrrolidin-3-yl}oxy)pentyl]-4-methylpyridin-2-amine

HW1 is a Ligand Of Interest in 4CX2 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
4CX2_HW1_A_800	93%	34%	0.065	0.958	0.78	1.79	-	9	2	0	100%	1
4CX2_HW1_B_800	90%	29%	0.071	0.953	0.65	2.13	-	10	2	0	100%	1
4CWY_HW1_A_800	85%	29%	0.084	0.949	0.7	2.08	-	8	2	0	100%	1
4UGW_HW1_A_904	58%	29%	0.143	0.922	0.78	2.01	-	10	4	0	100%	1
4EUX_HW1_B_804	32%	23%	0.238	0.913	0.75	2.36	1	9	7	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.