Ligand validation:4NI1

MBN: TOLUENE

	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
4NI1_MBN_A_205	45%	53%	0.2	0.931	1.57	0.3	1	-	1	0	100%	1
4NI1_MBN_A_206	30%	48%	0.233	0.896	1.64	0.4	1	-	1	0	100%	1
2DN1_MBN_A_1001	82%	0%	0.106	0.962	7.88	6.7	5	6	2	0	100%	1
4NI0_MBN_A_205	72%	52%	0.125	0.949	1.61	0.3	-	-	0	0	100%	1
1YZI_MBN_A_203	71%	43%	0.135	0.957	1.79	0.45	2	-	0	0	100%	1
3ONZ_MBN_A_144	58%	82%	0.167	0.946	0.29	0.5	-	-	1	0	100%	1
3D7O_MBN_A_144	57%	65%	0.131	0.904	0.57	0.78	-	-	6	0	100%	1
5TDS_MBN_A_504	99%	91%	0.053	0.984	0.27	0.29	-	-	0	0	100%	1
4W53_MBN_A_200	92%	72%	0.092	0.981	0.23	0.84	-	-	2	0	100%	0.8
5TDT_MBN_D_502	91%	79%	0.08	0.966	0.5	0.36	-	-	1	0	100%	1
7L39_MBN_A_203	90%	88%	0.101	0.984	0.27	0.39	-	-	0	0	100%	0.92
4I7K_MBN_B_204	81%	88%	0.12	0.971	0.35	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.