Ligand validation:3MDL

AKR: ACRYLIC ACID

	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
3MDL_AKR_A_3	27%	28%	0.144	0.788	2.07	0.84	2	-	0	0	100%	1
3MDL_AKR_B_4	16%	29%	0.193	0.76	1.93	0.93	2	-	0	0	100%	1
3MDL_AKR_B_3	11%	26%	0.192	0.706	1.94	1.06	2	-	2	0	100%	1
3MDL_AKR_A_2	8%	28%	0.205	0.682	1.99	0.91	3	-	2	0	100%	1
3MDL_AKR_B_5	4%	32%	0.229	0.602	1.96	0.77	1	-	0	0	100%	1
5FDQ_AKR_A_702	55%	33%	0.188	0.957	1.33	1.3	-	-	3	0	100%	1
4E1G_AKR_A_712	54%	2%	0.17	0.934	2.12	4.57	1	2	3	0	100%	1
3QH0_AKR_A_3	51%	27%	0.183	0.938	2.04	0.94	3	-	0	0	100%	1
4PH9_AKR_A_610	50%	25%	0.13	0.88	1.46	1.58	1	1	1	0	100%	1
5JVY_AKR_A_607	47%	29%	0.161	0.9	1.47	1.39	-	1	1	0	100%	1
4IJI_AKR_H_502	91%	31%	0.09	0.975	1.35	1.39	-	1	0	0	100%	1
4S01_AKR_B_503	79%	32%	0.107	0.954	1.57	1.16	1	-	1	0	100%	1
8GM9_AKR_C_404	77%	28%	0.125	0.964	1.58	1.34	1	1	0	0	100%	1
8B4G_AKR_AAA_305	71%	36%	0.114	0.934	1.31	1.2	1	-	2	0	100%	0.3
5Y8H_AKR_B_303	67%	57%	0.12	0.928	1.23	0.46	1	-	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.