Ligand validation:3KR5

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
3KR5_1PE_L_1	51%	78%	0.133	0.954	0.51	0.38	-	-	2	63%	0.625
3KR5_1PE_E_8	46%	75%	0.152	0.933	0.53	0.44	-	-	0	75%	0.75
3KR5_1PE_K_5	45%	77%	0.144	0.922	0.51	0.41	-	-	3	75%	0.75
3KR5_1PE_G_12	43%	87%	0.134	0.938	0.49	0.21	-	-	0	56%	0.5625
3KR5_1PE_C_18	43%	75%	0.123	0.925	0.59	0.38	-	-	0	56%	0.5625
3KR5_1PE_F_32	42%	71%	0.137	0.925	0.66	0.44	-	-	0	63%	0.625
3KR5_1PE_A_19	40%	82%	0.143	0.931	0.61	0.2	-	-	0	56%	0.5625
3KR5_1PE_I_21	36%	68%	0.202	0.909	0.72	0.51	-	-	4	94%	0.9375
3KR5_1PE_G_48	32%	62%	0.162	0.95	0.64	0.8	-	-	0	38%	0.375
3KR5_1PE_C_17	32%	49%	0.196	0.904	0.91	1.05	-	1	1	81%	0.8125
3KR5_1PE_J_2	31%	75%	0.211	0.939	0.6	0.37	-	-	2	69%	0.6875
3KR5_1PE_G_30	31%	74%	0.166	0.936	0.55	0.44	-	-	1	44%	0.4375
3KR5_1PE_K_42	29%	76%	0.162	0.876	0.59	0.34	-	-	3	69%	0.6875
3KR5_1PE_D_9	29%	69%	0.181	0.904	0.6	0.58	-	-	0	63%	0.625
3KR5_1PE_G_58	27%	67%	0.215	0.875	0.73	0.54	-	-	2	94%	0.9375
3KR5_1PE_I_66	27%	69%	0.166	0.912	0.61	0.55	-	-	0	44%	0.4375
3KR5_1PE_I_22	26%	71%	0.206	0.905	0.57	0.53	-	-	1	69%	0.6875
3KR5_1PE_H_65	23%	81%	0.205	0.896	0.59	0.23	-	-	1	63%	0.625
3KR5_1PE_A_20	22%	75%	0.213	0.873	0.63	0.35	-	-	2	75%	0.75
3KR5_1PE_D_63	22%	70%	0.196	0.876	0.7	0.43	-	-	1	63%	0.625
3KR5_1PE_L_56	18%	67%	0.187	0.828	0.77	0.49	-	-	0	69%	0.6875
3KR5_1PE_B_60	18%	80%	0.252	0.906	0.54	0.29	-	-	1	63%	0.625
3KR5_1PE_B_61	17%	57%	0.214	0.858	0.71	0.93	-	-	2	63%	0.625
3KR5_1PE_H_64	17%	79%	0.241	0.883	0.62	0.25	-	-	0	63%	0.625
3KR5_1PE_F_31	16%	73%	0.22	0.861	0.5	0.51	-	-	1	63%	0.625
3KR5_1PE_E_612	16%	73%	0.262	0.877	0.6	0.42	-	-	1	75%	0.75
3KR5_1PE_F_33	15%	78%	0.228	0.86	0.61	0.29	-	-	0	63%	0.625
3KR5_1PE_K_4	14%	64%	0.214	0.813	0.73	0.64	-	-	1	75%	0.75
3KR5_1PE_E_43	14%	75%	0.213	0.857	0.47	0.49	-	-	2	50%	0.5
3KR5_1PE_G_47	14%	89%	0.287	0.956	0.4	0.25	-	-	1	38%	0.375
3KR5_1PE_K_50	14%	68%	0.211	0.877	0.69	0.53	-	-	1	38%	0.375
3KR5_1PE_L_612	12%	74%	0.273	0.848	0.65	0.35	-	-	3	75%	0.75
3KR5_1PE_J_3	12%	70%	0.3	0.894	0.59	0.54	-	-	5	63%	0.625
3KR5_1PE_D_44	8%	70%	0.263	0.793	0.7	0.45	-	-	4	69%	0.6875
3KR5_1PE_D_67	6%	71%	0.296	0.82	0.73	0.36	-	-	0	44%	0.4375
3KR5_1PE_J_45	1%	68%	0.357	0.651	0.67	0.53	-	-	2	63%	0.625
3KR5_1PE_B_62	0%	71%	0.508	0.429	0.68	0.44	-	-	0	63%	0.625
8EZ4_1PE_D_702	71%	96%	0.08	0.969	0.08	0.28	-	-	0	63%	0.625
3KR4_1PE_F_31	66%	74%	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	54%	13%	0.117	0.951	2.26	1.86	4	3	2	63%	0.625
3KQZ_1PE_L_25	54%	77%	0.143	0.955	0.51	0.39	-	-	9	75%	0.75
7JKV_1PE_B_402	91%	30%	0.083	0.97	1.31	1.58	2	2	1	100%	1
4AG3_1PE_A_1249	90%	61%	0.076	0.958	0.4	1.04	-	1	0	100%	1
5CGM_1PE_A_716	84%	78%	0.099	0.96	0.51	0.37	-	-	0	100%	1
4QCL_1PE_A_1306	82%	60%	0.098	0.955	1.16	0.35	1	-	1	100%	1
3V1D_1PE_G_49	82%	37%	0.08	0.934	0.72	1.82	-	6	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 R01GM133198.

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3KR5

1PE: PENTAETHYLENE GLYCOL