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%	38%	0.158	0.826	0.48	1.9	-	2	3	0	100%	1
1H1I_MPD_C_1351	30%	34%	0.166	0.827	0.45	2.09	-	2	3	0	100%	1
1H1I_MPD_B_1357	25%	35%	0.167	0.8	0.5	2.02	-	2	4	0	100%	1
1H1I_MPD_B_1358	13%	45%	0.213	0.756	0.41	1.67	-	2	6	0	100%	1
1H1M_MPD_A_1362	32%	32%	0.152	0.822	0.74	1.92	-	1	4	0	100%	1
4QSR_MPD_A_1204	96%	63%	0.078	0.99	0.55	0.84	-	-	0	0	100%	1
3BUI_MPD_A_1048	95%	60%	0.069	0.974	0.57	0.95	-	-	0	1	100%	1
4WPG_MPD_A_301	95%	47%	0.056	0.958	0.43	1.57	-	3	1	0	100%	1
3GWZ_MPD_D_353	94%	90%	0.056	0.953	0.31	0.29	-	-	0	0	100%	1
6JOW_MPD_B_901	93%	71%	0.066	0.962	0.34	0.77	-	-	3	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.