Ligand validation:3GP6

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
3GP6_MPD_A_170	84%	54%	0.078	0.938	0.61	1.17	-	1	0	0	100%	1
3GP6_MPD_A_171	65%	42%	0.146	0.95	0.77	1.51	-	3	1	0	100%	0.5
3GP6_MPD_A_169	61%	71%	0.106	0.894	0.28	0.8	-	-	0	0	100%	1
3GP6_MPD_A_177	58%	86%	0.107	0.886	0.27	0.44	-	-	1	0	100%	1
3GP6_MPD_A_176	49%	74%	0.157	0.904	0.4	0.59	-	-	1	0	100%	1
3GP6_MPD_A_175	43%	82%	0.184	0.909	0.25	0.54	-	-	1	0	100%	1
3GP6_MPD_A_173	42%	67%	0.169	0.888	0.32	0.91	-	-	0	0	100%	1
3GP6_MPD_A_172	16%	76%	0.205	0.772	0.29	0.65	-	-	0	0	100%	1
3GP6_MPD_A_174	12%	68%	0.282	0.816	0.26	0.94	-	-	0	0	100%	0.5
1THQ_MPD_A_300	14%	54%	0.332	0.889	1.27	0.52	1	-	0	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%	48%	0.056	0.958	0.43	1.57	-	3	1	0	100%	1
6JOW_MPD_B_901	93%	70%	0.066	0.962	0.34	0.77	-	-	3	0	100%	1
8PO9_MPD_D_910	93%	86%	0.081	0.976	0.3	0.42	-	-	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 R01GM133198.