Ligand validation:5QCH

BJS: 2-(3-[3-({3-[(benzylamino)methyl]-4-chlorophenyl}ethynyl)-4-chlorophenyl]-1-{3-[(3S)-3-methylmorpholin-4-yl]propyl}-1,4,6,7-tetrahydro-5H-pyrazolo[4,3-c]pyridin-5-yl)-2-oxoacetamide

BJS is a Ligand Of Interest in 5QCH designated by the RCSB

	Best-fitted instance in this entry
	Other instances in this entry

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
5QCH_BJS_B_803	66%	61%	0.128	0.932	0.77	0.72	1	2	0	0	100%	0.918
5QCH_BJS_C_802	61%	62%	0.137	0.927	0.73	0.72	-	2	0	0	100%	0.918
5QCH_BJS_D_803	61%	59%	0.139	0.928	0.84	0.72	2	2	0	0	100%	0.918
5QCH_BJS_A_802	58%	60%	0.134	0.912	0.84	0.7	2	2	0	0	100%	0.918

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.