Ligand validation:2HEJ

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
2HEJ_BME_A_1001	16%	87%	0.203	0.771	0.35	0.34	-	-	2	0	100%	1
2HEJ_BME_B_1002	4%	87%	0.24	0.619	0.35	0.34	-	-	3	0	100%	1
3CV6_BME_B_352	80%	78%	0.118	0.966	0.56	0.33	-	-	1	0	100%	1
2IPF_BME_B_324	72%	87%	0.124	0.949	0.4	0.29	-	-	1	0	100%	1
2HE5_BME_C_501	45%	87%	0.157	0.89	0.34	0.36	-	-	1	0	100%	0.8
2HE8_BME_B_603	44%	78%	0.22	0.951	0.34	0.55	-	-	2	0	100%	1
2IPG_BME_A_324	18%	88%	0.163	0.746	0.27	0.39	-	-	1	0	100%	1
1E46_BME_P_302	100%	59%	0.026	0.993	0.51	1.03	-	-	0	0	100%	1
1DYF_BME_A_179	100%	79%	0.029	0.992	0.55	0.33	-	-	0	0	100%	1
1L56_BME_A_165	100%	74%	0.025	0.989	0.84	0.18	-	-	1	0	100%	1
1L73_BME_A_900	100%	77%	0.025	0.986	0.33	0.57	-	-	1	0	100%	1
1DYG_BME_A_179	100%	74%	0.033	0.991	0.57	0.44	-	-	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.