Ligand validation:3KR4

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
3KR4_1PE_F_31	67%	75%	0.086	0.96	0.36	0.62	-	-	0	63%	0.625
3KR4_1PE_K_5	59%	72%	0.119	0.945	0.44	0.64	-	-	0	75%	0.75
3KR4_1PE_E_8	58%	77%	0.131	0.955	0.39	0.53	-	-	0	75%	0.75
3KR4_1PE_L_1	56%	80%	0.109	0.948	0.31	0.53	-	-	3	63%	0.625
3KR4_1PE_H_64	54%	72%	0.114	0.947	0.52	0.56	-	-	1	63%	0.625
3KR4_1PE_C_18	51%	76%	0.099	0.93	0.54	0.42	-	-	4	56%	0.5625
3KR4_1PE_I_22	45%	81%	0.134	0.922	0.49	0.34	-	-	4	69%	0.6875
3KR4_1PE_J_2	45%	74%	0.126	0.912	0.41	0.58	-	-	2	69%	0.6875
3KR4_1PE_B_60	43%	74%	0.136	0.925	0.44	0.56	-	-	0	63%	0.625
3KR4_1PE_K_4	35%	76%	0.143	0.873	0.57	0.38	-	-	0	75%	0.75
3KR4_1PE_G_47	34%	74%	0.129	0.926	0.51	0.51	-	-	0	38%	0.375
3KR4_1PE_D_9	34%	84%	0.157	0.906	0.47	0.29	-	-	1	63%	0.625
3KR4_1PE_A_19	32%	84%	0.165	0.918	0.51	0.25	-	-	1	56%	0.5625
3KR4_1PE_E_7	32%	75%	0.152	0.869	0.53	0.44	-	-	0	75%	0.75
3KR4_1PE_F_33	31%	80%	0.182	0.92	0.54	0.32	-	-	0	63%	0.625
3KR4_1PE_L_612	31%	76%	0.177	0.891	0.45	0.51	-	-	8	75%	0.75
3KR4_1PE_G_48	30%	62%	0.132	0.909	0.64	0.8	-	-	0	38%	0.375
3KR4_1PE_I_21	29%	63%	0.202	0.871	0.66	0.76	-	-	3	94%	0.9375
3KR4_1PE_G_12	28%	76%	0.162	0.892	0.57	0.37	-	-	1	56%	0.5625
3KR4_1PE_F_32	27%	76%	0.16	0.876	0.57	0.39	-	-	3	63%	0.625
3KR4_1PE_J_3	25%	73%	0.151	0.854	0.54	0.5	-	-	6	63%	0.625
3KR4_1PE_L_56	25%	80%	0.178	0.869	0.56	0.28	-	-	0	69%	0.6875
3KR4_1PE_C_17	24%	73%	0.205	0.87	0.56	0.49	-	-	1	81%	0.8125
3KR4_1PE_K_42	24%	75%	0.183	0.869	0.58	0.41	-	-	1	69%	0.6875
3KR4_1PE_I_66	24%	77%	0.146	0.875	0.6	0.33	-	-	0	44%	0.4375
3KR4_1PE_E_43	23%	81%	0.183	0.894	0.53	0.29	-	-	4	50%	0.5
3KR4_1PE_G_58	21%	68%	0.205	0.827	0.71	0.54	-	-	6	94%	0.9375
3KR4_1PE_H_65	19%	64%	0.173	0.83	0.64	0.73	-	-	3	63%	0.625
3KR4_1PE_G_30	18%	82%	0.169	0.857	0.48	0.32	-	-	0	44%	0.4375
3KR4_1PE_B_61	17%	61%	0.188	0.834	0.64	0.83	-	-	8	63%	0.625
3KR4_1PE_A_20	17%	70%	0.181	0.803	0.61	0.53	-	-	1	75%	0.75
3KR4_1PE_D_63	13%	60%	0.184	0.787	0.74	0.8	-	-	2	63%	0.625
3KR4_1PE_D_67	9%	83%	0.228	0.824	0.5	0.28	-	-	1	44%	0.4375
3KR4_1PE_J_45	9%	79%	0.268	0.829	0.52	0.36	-	-	2	63%	0.625
3KR4_1PE_D_44	7%	64%	0.294	0.802	0.72	0.66	-	-	2	69%	0.6875
3KR4_1PE_K_50	3%	78%	0.209	0.66	0.6	0.31	-	-	0	38%	0.375
3KR4_1PE_B_62	0%	74%	0.709	-0.019	0.61	0.41	-	-	0	63%	0.625
8EZ4_1PE_D_702	72%	96%	0.08	0.969	0.08	0.28	-	-	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
3KR5_1PE_L_1	51%	78%	0.133	0.954	0.51	0.38	-	-	2	63%	0.625
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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3KR4

1PE: PENTAETHYLENE GLYCOL