Ligand validation:3B45

BNG: nonyl beta-D-glucopyranoside

BNG is a Ligand Of Interest in 3B45 designated by the RCSB

	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	Model completeness	Average occupancy
3B45_BNG_A_501	31%	73%	0.15	0.818	0.38	0.65	-	-	0	100%	1
3B45_BNG_A_512	23%	85%	0.147	0.877	0.17	0.57	-	-	3	38%	0.381
3B45_BNG_A_502	21%	74%	0.155	0.762	0.38	0.64	-	-	0	100%	1
3B45_BNG_A_508	16%	84%	0.174	0.865	0.21	0.55	-	-	0	33%	0.3333
3B45_BNG_A_506	15%	86%	0.214	0.894	0.19	0.53	-	-	2	33%	0.3333
3B45_BNG_A_507	9%	74%	0.274	0.813	0.41	0.6	-	-	1	71%	0.7143
3B45_BNG_A_503	8%	86%	0.153	0.752	0.2	0.52	-	-	4	33%	0.3333
3B45_BNG_A_505	7%	82%	0.246	0.8	0.17	0.62	-	-	1	43%	0.4286
3B45_BNG_A_510	5%	82%	0.222	0.742	0.12	0.66	-	-	0	43%	0.4286
3B45_BNG_A_511	3%	84%	0.177	0.634	0.19	0.56	-	-	0	29%	0.2857
3B45_BNG_A_516	2%	87%	0.361	0.801	0.27	0.43	-	-	0	29%	0.2857
3B45_BNG_A_509	2%	65%	0.268	0.571	0.48	0.86	-	1	3	100%	1
3B45_BNG_A_517	2%	85%	0.253	0.682	0.23	0.51	-	-	0	24%	0.2381
3B45_BNG_A_513	2%	87%	0.263	0.654	0.17	0.51	-	-	0	38%	0.381
3B45_BNG_A_515	1%	87%	0.228	0.572	0.12	0.56	-	-	3	33%	0.3333
3B45_BNG_A_504	1%	77%	0.433	0.796	0.22	0.68	-	-	3	19%	19.05
3B45_BNG_A_514	0%	85%	0.408	0.38	0.35	0.4	-	-	1	38%	0.381
2XTU_BNG_A_514	46%	72%	0.107	0.901	0.25	0.81	-	-	4	67%	0.6667
3B44_BNG_A_501	40%	73%	0.146	0.855	0.39	0.64	-	-	0	100%	1
3ZOT_BNG_A_407	30%	84%	0.132	0.924	0.27	0.48	-	-	0	29%	0.2857
2XOV_BNG_A_508	30%	89%	0.121	0.911	0.22	0.41	-	-	0	29%	0.2857
2IC8_BNG_A_502	18%	70%	0.195	0.784	0.42	0.73	-	1	2	100%	1
4RP9_BNG_A_503	84%	70%	0.091	0.952	0.38	0.76	-	-	3	100%	1
4DVE_BNG_B_202	81%	66%	0.092	0.945	0.47	0.83	-	1	0	100%	0.5
5B0W_BNG_F_304	74%	49%	0.088	0.917	1.25	0.73	3	-	2	100%	1
4MES_BNG_B_201	72%	51%	0.128	0.953	0.83	1.05	-	2	5	100%	1
4MUU_BNG_A_202	70%	41%	0.117	0.934	0.85	1.45	-	6	1	100%	0.66

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.

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3B45

BNG: nonyl beta-D-glucopyranoside

BNG is a Ligand Of Interest in 3B45 designated by the RCSB