Ligand validation:3CAS

EDO: 1,2-ETHANEDIOL

	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
3CAS_EDO_A_330	48%	35%	0.14	0.884	2.29	0.34	1	-	1	0	100%	1
3CAS_EDO_A_329	33%	32%	0.179	0.857	2.39	0.35	1	-	3	0	100%	1
3CAS_EDO_A_331	27%	34%	0.185	0.834	2.29	0.38	1	-	0	0	100%	1
3CAS_EDO_B_329	23%	34%	0.194	0.813	2.29	0.37	1	-	0	0	100%	1
3CAS_EDO_B_328	22%	33%	0.198	0.816	2.32	0.4	1	-	0	0	100%	1
3CAS_EDO_B_330	3%	32%	0.309	0.636	2.38	0.39	1	-	2	0	100%	1
3CAV_EDO_A_332	60%	34%	0.12	0.906	2.29	0.37	1	-	0	0	100%	1
3CAQ_EDO_A_329	43%	35%	0.102	0.824	2.29	0.31	1	-	1	0	100%	1
2G8S_EDO_A_3016	100%	84%	0.02	0.992	0.42	0.35	-	-	0	0	100%	0.7
3DPJ_EDO_B_195	100%	82%	0.022	0.994	0.47	0.34	-	-	1	0	100%	1
4EYG_EDO_A_402	100%	81%	0.024	0.995	0.44	0.39	-	-	0	0	100%	1
4NMU_EDO_D_206	100%	92%	0.025	0.997	0.38	0.14	-	-	0	0	100%	1
4Q6J_EDO_A_302	100%	82%	0.013	0.999	0.37	0.42	-	-	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.