Ligand validation:4ITA

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	Model completeness	Average occupancy
4ITA_EDO_A_503	100%	89%	0.04	0.985	0.41	0.23	-	-	0	100%	1
4ITA_EDO_B_504	99%	86%	0.048	0.984	0.43	0.3	-	-	0	100%	1
4ITA_EDO_A_506	97%	84%	0.054	0.97	0.43	0.33	-	-	0	100%	1
4ITA_EDO_B_503	87%	87%	0.082	0.955	0.41	0.3	-	-	0	100%	1
4ITA_EDO_A_516	74%	81%	0.095	0.925	0.43	0.39	-	-	0	100%	1
4ITA_EDO_B_509	73%	78%	0.129	0.957	0.43	0.46	-	-	0	100%	1
4ITA_EDO_B_515	73%	85%	0.101	0.927	0.42	0.33	-	-	0	100%	1
4ITA_EDO_A_502	70%	83%	0.132	0.949	0.47	0.32	-	-	0	100%	1
4ITA_EDO_A_511	67%	81%	0.108	0.917	0.45	0.37	-	-	0	100%	1
4ITA_EDO_A_504	66%	73%	0.116	0.92	0.49	0.54	-	-	0	100%	1
4ITA_EDO_B_505	65%	81%	0.107	0.909	0.46	0.37	-	-	0	100%	1
4ITA_EDO_B_508	65%	75%	0.127	0.928	0.37	0.59	-	-	0	100%	1
4ITA_EDO_A_512	61%	81%	0.104	0.891	0.45	0.37	-	-	0	100%	1
4ITA_EDO_A_514	60%	79%	0.098	0.882	0.43	0.43	-	-	0	100%	1
4ITA_EDO_B_513	58%	86%	0.149	0.928	0.46	0.27	-	-	0	100%	1
4ITA_EDO_B_517	58%	81%	0.097	0.873	0.42	0.41	-	-	0	100%	1
4ITA_EDO_B_502	55%	90%	0.148	0.916	0.41	0.2	-	-	1	100%	1
4ITA_EDO_B_514	51%	73%	0.139	0.891	0.47	0.57	-	-	0	100%	1
4ITA_EDO_A_510	49%	78%	0.146	0.893	0.41	0.48	-	-	0	100%	1
4ITA_EDO_A_507	49%	77%	0.133	0.877	0.48	0.44	-	-	0	100%	1
4ITA_EDO_B_512	48%	82%	0.13	0.87	0.45	0.36	-	-	0	100%	1
4ITA_EDO_B_507	44%	76%	0.148	0.874	0.48	0.46	-	-	0	100%	1
4ITA_EDO_B_518	43%	82%	0.198	0.924	0.43	0.37	-	-	1	100%	1
4ITA_EDO_B_506	42%	83%	0.178	0.896	0.45	0.34	-	-	1	100%	1
4ITA_EDO_A_509	36%	86%	0.127	0.818	0.5	0.23	-	-	2	100%	1
4ITA_EDO_A_508	31%	88%	0.163	0.829	0.48	0.2	-	-	0	100%	1
4ITA_EDO_B_510	25%	77%	0.215	0.851	0.43	0.48	-	-	0	100%	1
4ITA_EDO_A_515	24%	78%	0.211	0.843	0.31	0.57	-	-	5	100%	1
4ITA_EDO_A_505	24%	78%	0.2	0.826	0.45	0.43	-	-	0	100%	1
4ITA_EDO_B_511	24%	84%	0.242	0.869	0.39	0.38	-	-	0	100%	1
4ITA_EDO_A_513	17%	83%	0.175	0.753	0.45	0.33	-	-	0	100%	1
4ITA_EDO_B_516	15%	78%	0.209	0.773	0.42	0.46	-	-	0	100%	1
4ITA_EDO_B_519	14%	81%	0.302	0.851	0.33	0.49	-	-	4	100%	1
4ITA_EDO_A_517	6%	90%	0.32	0.765	0.51	0.12	-	-	3	100%	1
4ITB_EDO_A_503	100%	88%	0.028	0.99	0.38	0.29	-	-	0	100%	1
6ANS_EDO_A_404	100%	89%	0.029	0.995	0.57	0.07	-	-	0	100%	1
4FQI_EDO_A_401	100%	85%	0.032	0.992	0.46	0.29	-	-	0	100%	1
4KXW_EDO_A_1003	100%	73%	0.033	0.993	0.64	0.4	-	-	0	100%	1
8JK3_EDO_A_304	100%	81%	0.033	0.992	0.22	0.58	-	-	0	100%	1
3G7R_EDO_B_961	100%	85%	0.035	0.988	0.45	0.3	-	-	1	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.

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4ITA

EDO: 1,2-ETHANEDIOL