Ligand validation:4K3N

1PE: PENTAETHYLENE GLYCOL

	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
4K3N_1PE_A_1009	53%	87%	0.094	0.933	0.43	0.27	-	-	0	56%	0.5625
4K3N_1PE_K_1008	52%	89%	0.136	0.938	0.46	0.2	-	-	0	75%	0.75
4K3N_1PE_F_1006	44%	88%	0.126	0.92	0.43	0.24	-	-	0	63%	0.625
4K3N_1PE_D_1007	44%	79%	0.125	0.918	0.44	0.43	-	-	2	63%	0.625
4K3N_1PE_L_1006	40%	73%	0.147	0.924	0.36	0.69	-	-	0	63%	0.625
4K3N_1PE_I_1008	39%	83%	0.144	0.904	0.46	0.33	-	-	1	69%	0.6875
4K3N_1PE_J_1006	38%	79%	0.164	0.923	0.43	0.44	-	-	3	69%	0.6875
4K3N_1PE_E_1008	37%	82%	0.164	0.904	0.49	0.31	-	-	0	75%	0.75
4K3N_1PE_C_1007	36%	89%	0.127	0.897	0.43	0.22	-	-	1	56%	0.5625
4K3N_1PE_G_1010	29%	79%	0.138	0.91	0.49	0.37	-	-	0	38%	0.375
4K3N_1PE_G_1009	28%	76%	0.193	0.958	0.45	0.49	-	-	0	38%	0.375
4K3N_1PE_C_1006	27%	85%	0.167	0.848	0.55	0.2	-	-	1	81%	0.8125
4K3N_1PE_G_1008	27%	84%	0.154	0.88	0.41	0.36	-	-	2	56%	0.5625
4K3N_1PE_I_1009	26%	86%	0.153	0.919	0.39	0.34	-	-	1	31%	0.3125
4K3N_1PE_F_1008	25%	89%	0.166	0.868	0.47	0.18	-	-	1	63%	0.625
4K3N_1PE_E_1007	25%	82%	0.155	0.833	0.48	0.32	-	-	0	75%	0.75
4K3N_1PE_I_1007	25%	78%	0.215	0.859	0.39	0.49	-	-	1	94%	0.9375
4K3N_1PE_K_1007	24%	76%	0.17	0.846	0.52	0.44	-	-	2	75%	0.75
4K3N_1PE_K_1009	23%	90%	0.168	0.846	0.47	0.15	-	-	0	69%	0.6875
4K3N_1PE_G_1011	17%	75%	0.217	0.81	0.41	0.57	-	-	6	94%	0.9375
4K3N_1PE_D_1009	17%	77%	0.189	0.819	0.53	0.39	-	-	5	69%	0.6875
4K3N_1PE_F_1007	16%	90%	0.179	0.816	0.48	0.15	-	-	0	63%	0.625
4K3N_1PE_L_1007	15%	86%	0.18	0.782	0.52	0.2	-	-	3	75%	0.75
4K3N_1PE_J_1007	10%	80%	0.22	0.795	0.52	0.32	-	-	1	63%	0.625
4K3N_1PE_E_1009	10%	83%	0.216	0.806	0.43	0.36	-	-	3	50%	0.5
4K3N_1PE_L_1009	9%	75%	0.203	0.755	0.5	0.49	-	-	4	69%	0.6875
4K3N_1PE_A_1010	8%	89%	0.226	0.749	0.51	0.15	-	-	1	75%	0.75
4K3N_1PE_K_1010	8%	90%	0.185	0.771	0.47	0.16	-	-	1	38%	0.375
4K3N_1PE_F_1009	8%	87%	0.286	0.815	0.47	0.22	-	-	1	69%	0.6875
4K3N_1PE_J_1008	8%	81%	0.226	0.752	0.55	0.27	-	-	2	69%	0.6875
4K3N_1PE_D_1008	7%	86%	0.219	0.751	0.5	0.22	-	-	0	56%	0.5625
4K3N_1PE_J_1009	5%	77%	0.249	0.729	0.54	0.38	-	-	2	56%	0.5625
4K3N_1PE_L_1008	4%	80%	0.2	0.667	0.46	0.39	-	-	2	50%	0.5
4K3N_1PE_C_1008	3%	84%	0.346	0.773	0.5	0.26	-	-	0	44%	0.4375
8EZ4_1PE_D_702	72%	96%	0.08	0.969	0.08	0.28	-	-	0	63%	0.625
3KR4_1PE_F_31	67%	75%	0.086	0.96	0.36	0.62	-	-	0	63%	0.625
3KQX_1PE_L_1	64%	68%	0.102	0.967	0.45	0.76	-	-	1	63%	0.625
3T8W_1PE_L_617	55%	12%	0.117	0.951	2.26	1.86	4	3	2	63%	0.625
3KQZ_1PE_L_25	55%	78%	0.143	0.955	0.51	0.39	-	-	9	75%	0.75
7JKV_1PE_B_402	91%	28%	0.083	0.97	1.31	1.58	2	2	1	100%	1
4AG3_1PE_A_1249	90%	62%	0.076	0.958	0.4	1.02	-	-	0	100%	1
2YK5_1PE_A_1377	84%	46%	0.083	0.945	0.68	1.38	-	1	0	100%	1
5CGM_1PE_A_716	84%	79%	0.099	0.96	0.51	0.37	-	-	0	100%	1
4QCL_1PE_A_1306	83%	61%	0.098	0.955	1.16	0.35	1	-	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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4K3N

1PE: PENTAETHYLENE GLYCOL