Ligand validation:4D44

MRD: (4R)-2-METHYLPENTANE-2,4-DIOL

	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	Stereochemical errors	Model completeness	Average occupancy
4D44_MRD_G_1259	23%	63%	0.196	0.817	0.62	0.81	-	1	1	0	100%	1
4D44_MRD_G_1261	19%	68%	0.198	0.793	0.51	0.7	-	-	1	0	100%	1
4D44_MRD_A_1257	17%	47%	0.173	0.752	0.78	1.25	-	1	0	0	100%	1
4D44_MRD_F_1258	16%	59%	0.179	0.744	0.65	0.92	-	1	1	0	100%	1
4D44_MRD_H_1257	14%	47%	0.243	0.793	0.72	1.3	-	1	1	0	100%	1
4D44_MRD_C_1260	9%	63%	0.215	0.706	0.58	0.82	-	-	1	0	100%	1
4D44_MRD_B_1259	8%	53%	0.213	0.676	0.63	1.17	-	1	1	0	100%	1
4D44_MRD_E_1260	3%	60%	0.258	0.593	0.69	0.85	-	1	0	0	100%	1
4D43_MRD_H_1258	40%	69%	0.157	0.865	0.45	0.72	-	-	0	0	100%	1
4D41_MRD_B_1258	10%	77%	0.237	0.744	0.34	0.56	-	-	1	0	100%	1
5SZD_MRD_A_102	98%	93%	0.06	0.984	0.3	0.17	-	-	0	0	100%	1
4DUI_MRD_A_202	98%	59%	0.06	0.982	0.8	0.79	-	-	0	0	100%	1
1SWU_MRD_A_1	97%	67%	0.05	0.967	0.44	0.83	-	1	0	0	100%	1
7EK9_MRD_A_201	97%	88%	0.06	0.977	0.29	0.38	-	-	0	0	100%	1
6B6R_MRD_A_307	97%	70%	0.068	0.985	0.56	0.58	-	-	0	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.