Ligand validation:1H1I

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
1H1I_MPD_A_1359	31%	39%	0.158	0.826	0.48	1.85	-	2	3	0	100%	1
1H1I_MPD_C_1351	30%	36%	0.166	0.827	0.45	2.02	-	2	3	0	100%	1
1H1I_MPD_B_1357	25%	38%	0.167	0.8	0.45	1.95	-	3	4	0	100%	1
1H1I_MPD_B_1358	13%	46%	0.212	0.756	0.42	1.65	-	3	6	0	100%	1
1H1M_MPD_A_1362	32%	34%	0.152	0.822	0.74	1.85	-	1	4	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.