Ligand validation:3CAQ

BME: BETA-MERCAPTOETHANOL

	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
3CAQ_BME_B_328	16%	72%	0.232	0.801	0.71	0.38	-	-	0	0	100%	1
3CAQ_BME_A_328	15%	73%	0.216	0.777	0.67	0.39	-	-	3	0	100%	1
3CAV_BME_A_329	16%	86%	0.246	0.818	0.38	0.33	-	-	1	0	100%	1
1E46_BME_P_302	100%	59%	0.039	0.995	0.51	1.03	-	-	0	0	100%	1
1DZU_BME_P_314	100%	66%	0.039	0.994	0.23	1.05	-	-	0	0	100%	1
1L86_BME_A_901	100%	66%	0.039	0.983	0.33	0.96	-	-	0	0	100%	1
244L_BME_A_169	100%	87%	0.048	0.991	0.44	0.27	-	-	0	0	100%	1
1L36_BME_A_198	100%	62%	0.052	0.994	1.13	0.33	-	-	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.