Ligand validation:4IE2

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
4IE2_BME_A_406	5%	90%	0.438	0.856	0.24	0.35	-	-	1	0	100%	0.35
4IE2_BME_B_407	2%	80%	0.515	0.818	0.27	0.57	-	-	0	0	100%	0.43
4IE2_BME_B_404	2%	78%	0.551	0.816	0.33	0.55	-	-	1	0	100%	1
4IE2_BME_A_404	1%	91%	0.533	0.709	0.33	0.25	-	-	5	0	100%	1
4IE2_BME_C_405	0%	77%	0.481	0.494	0.25	0.66	-	-	0	0	100%	0.36
4IE2_BME_B_405	0%	50%	0.426	0.037	0.5	1.4	-	-	2	0	100%	1
4IXU_BME_A_404	70%	89%	0.139	0.959	0.27	0.38	-	-	0	0	100%	0.54
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%	86%	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 R01GM133198.