Ligand validation:4AJ9

1PE: PENTAETHYLENE GLYCOL

	Best-fitted instance in this entry
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	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
4AJ9_1PE_B_1724	42%	46%	0.102	0.934	0.53	1.53	-	1	0	38%	0.375
4AJ9_1PE_B_1726	40%	36%	0.143	0.897	0.92	1.57	-	1	1	75%	0.75
4AJ9_1PE_D_1721	37%	89%	0.084	0.928	0.35	0.29	-	-	0	19%	18.75
4AJ9_1PE_C_1727	35%	46%	0.131	0.895	0.61	1.46	-	-	0	56%	0.5625
4AJ9_1PE_C_1725	32%	47%	0.105	0.888	0.55	1.46	-	1	0	38%	0.375
4AJ9_1PE_B_1725	31%	36%	0.148	0.861	0.9	1.59	-	2	0	75%	0.75
4AJ9_1PE_A_1722	31%	53%	0.154	0.933	0.55	1.24	-	-	2	38%	0.375
4AJ9_1PE_C_1726	28%	49%	0.134	0.895	0.52	1.42	-	-	1	38%	0.375
4AJ9_1PE_A_1718	26%	88%	0.096	0.88	0.35	0.33	-	-	1	19%	18.75
4AJ9_1PE_B_1721	23%	86%	0.117	0.886	0.35	0.37	-	-	0	19%	18.75
4AJ9_1PE_B_1723	20%	47%	0.152	0.864	0.55	1.47	-	1	0	38%	0.375
4AJ9_1PE_A_1721	20%	90%	0.103	0.847	0.36	0.26	-	-	0	19%	18.75
4AJ9_1PE_A_1719	18%	88%	0.126	0.856	0.34	0.34	-	-	0	19%	18.75
4AJ9_1PE_B_1722	17%	46%	0.153	0.844	0.56	1.48	-	1	0	38%	0.375
4AJ9_1PE_A_1724	16%	48%	0.169	0.812	0.57	1.41	-	-	1	56%	0.5625
4AJ9_1PE_C_1723	14%	89%	0.135	0.827	0.36	0.27	-	-	0	19%	18.75
4AJ9_1PE_B_1720	14%	87%	0.127	0.817	0.35	0.34	-	-	1	19%	18.75
4AJ9_1PE_D_1723	12%	44%	0.195	0.799	0.58	1.55	-	-	1	56%	0.5625
4AJ9_1PE_D_1719	11%	85%	0.134	0.793	0.34	0.41	-	-	0	19%	18.75
4AJ9_1PE_D_1720	10%	90%	0.165	0.817	0.37	0.25	-	-	0	19%	18.75
4AJ9_1PE_C_1724	10%	87%	0.16	0.805	0.36	0.33	-	-	0	19%	18.75
4AJ9_1PE_A_1720	9%	89%	0.182	0.823	0.35	0.3	-	-	0	19%	18.75
4AJ9_1PE_A_1723	9%	50%	0.221	0.819	0.52	1.37	-	-	0	38%	0.375
4AJ9_1PE_D_1722	6%	47%	0.2	0.732	0.48	1.54	-	1	0	38%	0.375
6NSW_1PE_B_804	47%	74%	0.151	0.891	0.51	0.49	-	-	1	100%	1
6NSY_1PE_B_804	25%	75%	0.207	0.842	0.51	0.46	-	-	5	100%	1
6NSZ_1PE_B_804	14%	76%	0.246	0.795	0.53	0.41	-	-	1	100%	1
5WER_1PE_J_301	100%	84%	0.037	0.984	0.55	0.22	-	-	0	100%	1
2ZAD_1PE_A_348	100%	73%	0.042	0.987	0.34	0.7	-	-	0	100%	1
9J8F_1PE_B_401	100%	98%	0.043	0.983	0.12	0.15	-	-	0	100%	1
8Z91_1PE_A_404	94%	94%	0.06	0.96	0.2	0.24	-	-	0	100%	1
7PJ6_1PE_AAA_701	93%	93%	0.058	0.954	0.21	0.27	-	-	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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4AJ9

1PE: PENTAETHYLENE GLYCOL