Ligand validation:1Q8U

H52: (S)-2-METHYL-1-[(4-METHYL-5-ISOQUINOLINE)SULFONYL]-HOMOPIPERAZINE

H52 is a Ligand Of Interest in 1Q8U 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
1Q8U_H52_A_962	94%	12%	0.062	0.962	2.04	1.99	8	8	0	0	100%	1
1Q8U_H52_A_961	60%	9%	0.118	0.903	2.31	2.23	6	8	1	0	100%	0.9432
5M6V_H52_A_401	89%	67%	0.096	0.975	0.53	0.74	1	-	0	0	100%	0.59
2GNH_H52_A_501	70%	7%	0.135	0.952	2.24	2.64	4	11	2	0	100%	1
2GNL_H52_A_501	61%	4%	0.165	0.954	2.51	3.01	4	13	1	0	100%	1
3D9V_H52_A_416	83%	9%	0.11	0.97	2.39	2.1	8	5	1	0	100%	1
4F1T_H52_A_1301	17%	2%	0.32	0.897	4.61	2.58	10	10	0	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.