Ligand validation:9JF5

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
9JF5_EDO_C_504	100%	91%	0.041	0.988	0.3	0.29	-	-	0	100%	1
9JF5_EDO_B_505	99%	93%	0.045	0.983	0.27	0.22	-	-	0	100%	1
9JF5_EDO_D_502	99%	94%	0.047	0.982	0.3	0.13	-	-	0	100%	1
9JF5_EDO_A_504	99%	95%	0.047	0.982	0.27	0.14	-	-	0	100%	1
9JF5_EDO_B_504	98%	88%	0.058	0.977	0.29	0.38	-	-	0	100%	1
9JF5_EDO_D_503	95%	97%	0.075	0.979	0.29	0.05	-	-	0	100%	1
9JF5_EDO_A_503	95%	89%	0.062	0.964	0.3	0.35	-	-	0	100%	1
9JF5_EDO_B_507	90%	95%	0.078	0.962	0.3	0.12	-	-	0	100%	1
9JF5_EDO_B_508	90%	90%	0.079	0.96	0.26	0.36	-	-	0	100%	1
9JF5_EDO_C_511	86%	93%	0.089	0.959	0.26	0.23	-	-	0	100%	1
9JF5_EDO_G_602	83%	84%	0.099	0.956	0.26	0.49	-	-	0	100%	1
9JF5_EDO_A_523	82%	92%	0.09	0.944	0.29	0.22	-	-	0	100%	1
9JF5_EDO_E_604	81%	84%	0.088	0.941	0.28	0.48	-	-	0	100%	1
9JF5_EDO_H_602	81%	88%	0.09	0.943	0.24	0.43	-	-	0	100%	1
9JF5_EDO_D_505	78%	93%	0.087	0.929	0.27	0.23	-	-	0	100%	1
9JF5_EDO_D_508	77%	93%	0.1	0.939	0.33	0.15	-	-	0	100%	1
9JF5_EDO_C_508	77%	94%	0.103	0.942	0.29	0.15	-	-	0	100%	1
9JF5_EDO_A_516	77%	78%	0.106	0.944	0.24	0.63	-	-	0	100%	1
9JF5_EDO_B_527	76%	78%	0.11	0.947	0.23	0.66	-	-	0	100%	1
9JF5_EDO_C_506	76%	95%	0.095	0.931	0.27	0.14	-	-	1	100%	1
9JF5_EDO_C_507	75%	97%	0.104	0.938	0.28	0.04	-	-	0	100%	1
9JF5_EDO_A_509	74%	90%	0.111	0.942	0.26	0.34	-	-	0	100%	1
9JF5_EDO_C_521	73%	91%	0.113	0.939	0.31	0.26	-	-	1	100%	1
9JF5_EDO_D_533	71%	77%	0.11	0.931	0.22	0.69	-	-	0	100%	1
9JF5_EDO_A_510	71%	92%	0.11	0.931	0.21	0.3	-	-	0	100%	1
9JF5_EDO_C_524	71%	91%	0.108	0.927	0.28	0.3	-	-	0	100%	1
9JF5_EDO_A_508	70%	93%	0.114	0.93	0.26	0.24	-	-	0	100%	1
9JF5_EDO_C_517	69%	90%	0.106	0.919	0.26	0.34	-	-	0	100%	1
9JF5_EDO_B_540	68%	92%	0.109	0.92	0.07	0.44	-	-	2	100%	1
9JF5_EDO_C_514	66%	81%	0.116	0.922	0.25	0.56	-	-	0	100%	1
9JF5_EDO_D_507	64%	93%	0.107	0.905	0.3	0.17	-	-	0	100%	1
9JF5_EDO_D_509	63%	89%	0.125	0.921	0.28	0.36	-	-	0	100%	1
9JF5_EDO_B_515	63%	84%	0.117	0.911	0.24	0.52	-	-	0	100%	1
9JF5_EDO_A_528	63%	88%	0.126	0.92	0.22	0.45	-	-	1	100%	1
9JF5_EDO_C_513	62%	91%	0.149	0.943	0.25	0.32	-	-	0	100%	1
9JF5_EDO_A_515	61%	90%	0.12	0.909	0.28	0.33	-	-	0	100%	1
9JF5_EDO_D_529	61%	92%	0.134	0.922	0.31	0.2	-	-	0	100%	1
9JF5_EDO_A_526	58%	82%	0.122	0.901	0.27	0.53	-	-	0	100%	1
9JF5_EDO_A_525	58%	92%	0.108	0.886	0.28	0.24	-	-	1	100%	1
9JF5_EDO_A_521	57%	92%	0.125	0.899	0.3	0.22	-	-	0	100%	1
9JF5_EDO_B_528	56%	92%	0.133	0.903	0.26	0.29	-	-	0	100%	1
9JF5_EDO_D_517	55%	88%	0.13	0.898	0.25	0.42	-	-	1	100%	1
9JF5_EDO_C_509	55%	93%	0.118	0.885	0.27	0.21	-	-	0	100%	1
9JF5_EDO_F_602	55%	88%	0.124	0.89	0.27	0.39	-	-	0	100%	1
9JF5_EDO_B_541	54%	93%	0.142	0.905	0.14	0.34	-	-	0	100%	1
9JF5_EDO_B_533	52%	93%	0.167	0.924	0.29	0.19	-	-	0	100%	1
9JF5_EDO_C_536	50%	81%	0.156	0.908	0.25	0.57	-	-	0	100%	1
9JF5_EDO_C_529	50%	90%	0.125	0.875	0.26	0.36	-	-	0	100%	1
9JF5_EDO_A_527	50%	87%	0.165	0.915	0.26	0.43	-	-	0	100%	1
9JF5_EDO_D_510	50%	79%	0.136	0.884	0.24	0.61	-	-	0	100%	1
9JF5_EDO_B_519	49%	92%	0.134	0.879	0.28	0.24	-	-	0	100%	1
9JF5_EDO_B_520	48%	90%	0.127	0.87	0.27	0.32	-	-	0	100%	1
9JF5_EDO_A_514	48%	92%	0.132	0.875	0.29	0.24	-	-	0	100%	1
9JF5_EDO_A_506	48%	97%	0.139	0.882	0.27	0.05	-	-	0	100%	1
9JF5_EDO_C_532	47%	95%	0.137	0.876	0.31	0.1	-	-	0	100%	1
9JF5_EDO_B_535	47%	96%	0.143	0.882	0.3	0.08	-	-	0	100%	1
9JF5_EDO_B_511	47%	93%	0.124	0.862	0.28	0.2	-	-	0	100%	1
9JF5_EDO_D_528	47%	87%	0.159	0.898	0.26	0.42	-	-	0	100%	1
9JF5_EDO_D_504	46%	90%	0.15	0.886	0.27	0.32	-	-	0	100%	1
9JF5_EDO_D_534	46%	90%	0.14	0.873	0.26	0.33	-	-	0	100%	1
9JF5_EDO_B_536	45%	97%	0.16	0.891	0.3	0.04	-	-	0	100%	1
9JF5_EDO_E_602	45%	96%	0.131	0.861	0.26	0.12	-	-	0	100%	1
9JF5_EDO_B_518	45%	90%	0.156	0.885	0.26	0.34	-	-	0	100%	1
9JF5_EDO_C_530	44%	92%	0.129	0.855	0.28	0.25	-	-	0	100%	1
9JF5_EDO_B_532	43%	89%	0.193	0.919	0.3	0.33	-	-	0	100%	1
9JF5_EDO_A_517	43%	91%	0.144	0.868	0.27	0.3	-	-	0	100%	1
9JF5_EDO_B_506	43%	84%	0.164	0.888	0.22	0.54	-	-	1	100%	1
9JF5_EDO_D_526	43%	90%	0.134	0.855	0.26	0.33	-	-	1	100%	1
9JF5_EDO_D_519	43%	91%	0.134	0.855	0.27	0.29	-	-	0	100%	1
9JF5_EDO_A_520	42%	90%	0.145	0.865	0.3	0.31	-	-	0	100%	1
9JF5_EDO_C_522	41%	90%	0.174	0.891	0.29	0.32	-	-	0	100%	1
9JF5_EDO_A_507	41%	92%	0.176	0.893	0.33	0.19	-	-	0	100%	1
9JF5_EDO_D_521	41%	87%	0.152	0.868	0.22	0.46	-	-	0	100%	1
9JF5_EDO_C_534	41%	93%	0.146	0.859	0.29	0.2	-	-	0	100%	1
9JF5_EDO_B_521	40%	89%	0.134	0.842	0.24	0.4	-	-	0	100%	1
9JF5_EDO_D_506	40%	94%	0.17	0.879	0.29	0.17	-	-	1	100%	1
9JF5_EDO_B_530	40%	91%	0.156	0.864	0.24	0.31	-	-	1	100%	1
9JF5_EDO_A_519	39%	90%	0.162	0.867	0.34	0.27	-	-	2	100%	1
9JF5_EDO_D_525	39%	93%	0.145	0.849	0.26	0.24	-	-	1	100%	1
9JF5_EDO_D_522	39%	90%	0.154	0.858	0.29	0.31	-	-	0	100%	1
9JF5_EDO_A_524	38%	90%	0.149	0.852	0.27	0.34	-	-	0	100%	1
9JF5_EDO_C_528	38%	90%	0.152	0.855	0.24	0.37	-	-	0	100%	1
9JF5_EDO_A_532	38%	91%	0.135	0.836	0.27	0.29	-	-	0	100%	1
9JF5_EDO_B_510	38%	92%	0.122	0.82	0.28	0.26	-	-	0	100%	1
9JF5_EDO_A_530	37%	93%	0.202	0.901	0.26	0.21	-	-	1	100%	1
9JF5_EDO_G_603	37%	93%	0.178	0.873	0.25	0.24	-	-	1	100%	1
9JF5_EDO_B_514	36%	94%	0.166	0.86	0.3	0.16	-	-	0	100%	1
9JF5_EDO_A_522	36%	91%	0.168	0.862	0.31	0.28	-	-	1	100%	1
9JF5_EDO_D_523	36%	90%	0.147	0.84	0.28	0.34	-	-	0	100%	1
9JF5_EDO_D_520	36%	93%	0.149	0.842	0.28	0.19	-	-	0	100%	1
9JF5_EDO_D_524	36%	86%	0.148	0.84	0.3	0.42	-	-	1	100%	1
9JF5_EDO_A_513	36%	87%	0.172	0.862	0.27	0.41	-	-	1	100%	1
9JF5_EDO_D_515	35%	95%	0.129	0.816	0.28	0.14	-	-	1	100%	1
9JF5_EDO_B_522	35%	92%	0.137	0.823	0.29	0.22	-	-	0	100%	1
9JF5_EDO_B_516	35%	93%	0.182	0.868	0.28	0.21	-	-	0	100%	1
9JF5_EDO_B_529	34%	84%	0.163	0.844	0.27	0.48	-	-	0	100%	1
9JF5_EDO_C_512	33%	82%	0.182	0.861	0.26	0.54	-	-	0	100%	1
9JF5_EDO_C_527	32%	92%	0.15	0.821	0.26	0.26	-	-	0	100%	1
9JF5_EDO_H_603	31%	89%	0.147	0.816	0.26	0.38	-	-	1	100%	1
9JF5_EDO_B_509	31%	91%	0.161	0.829	0.34	0.25	-	-	2	100%	1
9JF5_EDO_C_519	31%	92%	0.184	0.85	0.25	0.28	-	-	1	100%	1
9JF5_EDO_D_516	30%	91%	0.216	0.881	0.32	0.24	-	-	0	100%	1
9JF5_EDO_B_526	30%	91%	0.173	0.833	0.24	0.34	-	-	1	100%	1
9JF5_EDO_D_527	30%	92%	0.147	0.806	0.3	0.22	-	-	0	100%	1
9JF5_EDO_D_532	29%	87%	0.188	0.846	0.31	0.37	-	-	0	100%	1
9JF5_EDO_B_534	29%	97%	0.213	0.871	0.28	0.05	-	-	2	100%	1
9JF5_EDO_A_535	29%	87%	0.183	0.839	0.26	0.44	-	-	0	100%	1
9JF5_EDO_C_515	28%	94%	0.164	0.817	0.29	0.14	-	-	0	100%	1
9JF5_EDO_D_511	28%	87%	0.193	0.846	0.26	0.43	-	-	0	100%	1
9JF5_EDO_A_534	27%	95%	0.169	0.815	0.29	0.1	-	-	0	100%	1
9JF5_EDO_D_530	27%	91%	0.204	0.851	0.28	0.3	-	-	0	100%	1
9JF5_EDO_D_514	26%	95%	0.161	0.803	0.27	0.15	-	-	0	100%	1
9JF5_EDO_C_518	26%	94%	0.157	0.798	0.28	0.16	-	-	0	100%	1
9JF5_EDO_B_537	26%	91%	0.221	0.864	0.27	0.3	-	-	0	100%	1
9JF5_EDO_C_537	26%	87%	0.197	0.839	0.24	0.46	-	-	0	100%	1
9JF5_EDO_A_505	26%	95%	0.199	0.841	0.28	0.14	-	-	0	100%	1
9JF5_EDO_C_525	26%	91%	0.169	0.809	0.28	0.28	-	-	0	100%	1
9JF5_EDO_C_516	26%	93%	0.163	0.801	0.27	0.22	-	-	0	100%	1
9JF5_EDO_B_525	25%	92%	0.155	0.79	0.29	0.23	-	-	0	100%	1
9JF5_EDO_C_526	25%	95%	0.169	0.802	0.29	0.13	-	-	0	100%	1
9JF5_EDO_B_512	25%	92%	0.218	0.852	0.27	0.24	-	-	2	100%	1
9JF5_EDO_C_520	24%	94%	0.174	0.803	0.29	0.14	-	-	0	100%	1
9JF5_EDO_E_603	24%	94%	0.152	0.78	0.29	0.14	-	-	0	100%	1
9JF5_EDO_A_512	24%	90%	0.174	0.8	0.24	0.37	-	-	1	100%	1
9JF5_EDO_A_518	22%	92%	0.193	0.809	0.28	0.23	-	-	0	100%	1
9JF5_EDO_C_533	22%	84%	0.226	0.841	0.27	0.49	-	-	0	100%	1
9JF5_EDO_A_533	21%	91%	0.21	0.822	0.26	0.3	-	-	0	100%	1
9JF5_EDO_D_513	21%	96%	0.226	0.838	0.27	0.08	-	-	0	100%	1
9JF5_EDO_C_531	21%	91%	0.199	0.808	0.3	0.27	-	-	1	100%	1
9JF5_EDO_D_518	20%	92%	0.161	0.764	0.29	0.23	-	-	0	100%	1
9JF5_EDO_C_523	20%	92%	0.178	0.781	0.28	0.23	-	-	0	100%	1
9JF5_EDO_B_531	20%	97%	0.19	0.792	0.29	0.04	-	-	2	100%	1
9JF5_EDO_B_524	19%	89%	0.208	0.799	0.27	0.37	-	-	0	100%	1
9JF5_EDO_B_513	18%	94%	0.216	0.806	0.29	0.14	-	-	0	100%	1
9JF5_EDO_C_505	16%	91%	0.254	0.827	0.26	0.32	-	-	0	100%	1
9JF5_EDO_B_538	16%	91%	0.249	0.818	0.25	0.31	-	-	0	100%	1
9JF5_EDO_D_512	16%	92%	0.16	0.726	0.29	0.26	-	-	0	100%	1
9JF5_EDO_B_517	16%	90%	0.183	0.747	0.29	0.33	-	-	0	100%	1
9JF5_EDO_A_536	15%	58%	0.165	0.719	0.54	1.04	-	-	3	100%	1
9JF5_EDO_A_529	13%	91%	0.194	0.738	0.28	0.3	-	-	0	100%	1
9JF5_EDO_A_531	12%	92%	0.179	0.708	0.27	0.28	-	-	0	100%	1
9JF5_EDO_B_523	12%	93%	0.24	0.769	0.24	0.26	-	-	2	100%	1
9JF5_EDO_B_539	11%	61%	0.205	0.725	0.75	0.75	-	-	3	100%	1
9JF5_EDO_C_535	10%	93%	0.217	0.716	0.31	0.17	-	-	1	100%	1
9JF5_EDO_C_510	10%	87%	0.244	0.743	0.28	0.4	-	-	2	100%	1
9JF5_EDO_D_531	9%	96%	0.215	0.709	0.28	0.09	-	-	1	100%	1
9JF5_EDO_A_511	8%	92%	0.18	0.653	0.28	0.27	-	-	0	100%	1
9JF5_EDO_D_535	6%	70%	0.267	0.7	0.39	0.74	-	-	3	100%	1
9JER_EDO_B_507	99%	93%	0.045	0.98	0.27	0.21	-	-	0	100%	1
9JFN_EDO_C_503	94%	93%	0.067	0.964	0.36	0.14	-	-	0	100%	1
2G8S_EDO_A_3016	100%	84%	0.02	0.992	0.42	0.35	-	-	0	100%	0.7
3DPJ_EDO_B_195	100%	82%	0.022	0.994	0.47	0.34	-	-	1	100%	1
4EYG_EDO_A_402	100%	81%	0.024	0.995	0.44	0.39	-	-	0	100%	1
4NMU_EDO_D_206	100%	92%	0.025	0.997	0.38	0.14	-	-	0	100%	1
4Q6J_EDO_A_302	100%	82%	0.013	0.999	0.37	0.42	-	-	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.

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9JF5

EDO: 1,2-ETHANEDIOL