Ligand validation:7K1H

YY3: N-(2-{[2-(dimethylamino)ethyl](methyl)amino}-4-methoxy-5-{[4-(1-methyl-1H-indol-3-yl)pyrimidin-2-yl]amino}phenyl)prop-2-enamide

YY3 is a Ligand Of Interest in 7K1H designated by the Author

	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
7K1H_YY3_E_1302	48%	6%	0.177	0.92	1.98	2.99	10	17	0	0	100%	1
7K1H_YY3_D_1302	44%	5%	0.182	0.91	2.11	3.18	11	16	0	0	100%	1
7K1H_YY3_C_1302	41%	8%	0.19	0.907	1.79	2.79	7	16	1	0	100%	1
7K1H_YY3_B_1302	38%	8%	0.194	0.896	1.88	2.76	10	18	0	0	100%	1
7K1H_YY3_F_1302	37%	7%	0.203	0.9	1.98	2.77	12	17	0	0	100%	1
7K1H_YY3_A_1302	31%	13%	0.224	0.892	1.85	2.1	11	18	1	0	100%	1
6JXT_YY3_A_1101	80%	12%	0.094	0.942	2.02	2.09	10	10	2	0	100%	1
7JXP_YY3_C_1102	67%	11%	0.137	0.947	2.13	2.1	12	11	2	0	100%	1
6JX0_YY3_A_1101	67%	8%	0.127	0.934	2.17	2.47	12	16	3	0	100%	1
6LUD_YY3_A_1101	66%	67%	0.137	0.943	0.6	0.66	-	1	1	0	100%	1
6JX4_YY3_A_1101	65%	9%	0.12	0.921	2.15	2.25	11	15	0	0	100%	0.95
6JWL_YY3_A_1101	64%	10%	0.126	0.924	2.05	2.25	9	12	2	0	100%	0.9032

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.