Ligand validation:4Q17

MPD: (4S)-2-METHYL-2,4-PENTANEDIOL

	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
4Q17_MPD_B_610	73%	77%	0.11	0.938	0.45	0.46	-	-	0	0	100%	1
4Q17_MPD_A_610	67%	70%	0.113	0.922	0.47	0.69	-	-	0	0	100%	1
3GM6_MPD_B_528	95%	77%	0.066	0.972	0.4	0.51	-	-	0	0	100%	1
4Q5C_MPD_B_612	95%	82%	0.066	0.972	0.29	0.51	-	-	0	0	100%	1
4Q4U_MPD_B_611	95%	74%	0.066	0.971	0.33	0.68	-	-	0	0	100%	1
4Q5B_MPD_B_612	92%	71%	0.079	0.969	0.34	0.77	-	-	0	0	100%	1
3LGQ_MPD_B_528	91%	75%	0.079	0.966	0.36	0.6	-	-	0	0	100%	1
9D77_MPD_A_505	100%	87%	0.032	0.998	0.16	0.52	-	-	1	0	100%	1
9H8Q_MPD_B_602	100%	82%	0.039	0.988	0.35	0.44	-	-	1	0	100%	1
7Z6B_MPD_B_307	99%	74%	0.057	0.986	0.42	0.59	-	-	0	0	100%	1
7ZOB_MPD_F_202	99%	72%	0.056	0.983	0.44	0.65	-	-	0	0	100%	1
4H15_MPD_B_313	97%	89%	0.061	0.974	0.33	0.31	-	-	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.