Ligand validation:1Q8W

M77: 5-(1,4-DIAZEPAN-1-SULFONYL)ISOQUINOLINE

M77 is a Ligand Of Interest in 1Q8W 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
1Q8W_M77_A_960	78%	19%	0.094	0.937	1.6	1.87	5	8	0	0	100%	1
5O0E_M77_A_401	100%	84%	0.028	0.995	0.25	0.51	-	-	0	0	100%	1
6EM2_M77_A_401	97%	70%	0.061	0.976	0.51	0.65	-	-	0	0	100%	0.85
6I2A_M77_A_401	96%	73%	0.066	0.975	0.34	0.71	-	1	0	0	100%	1
5OK3_M77_A_401	96%	87%	0.074	0.982	0.23	0.47	-	-	0	0	100%	1
6I2C_M77_A_401	95%	72%	0.068	0.974	0.42	0.64	-	-	0	0	100%	1
5LCP_M77_A_401	95%	77%	0.08	0.985	0.27	0.65	-	-	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.