Study Results

Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
NR_XENOPE_I60_2019M6 (2019 - Xenopus laevis - Xenope family of nuclear receptors)
Download : Data.csv | 3D Common Core | 3D Models | DB.fasta

Tab legend :

Full name of ligand selected in the comparative docking column:

General color information :

Good

Correct

Query		Structural Alignment (SA)		3D Modeling	Annotation	Ligands from PDB templates			Predicted Complexes - pKd:[ ‹nMol \| ‹μMol \| ‹mMol ]
	Query Sequence Filter:	Significants SA found	Seq Ident.	3D Core (QMean Score)	Classification code	Binding Site	Ligands Found (Procognate)	Profile	Complexes by comparative docking (ligands from PDB templates)	Targets for screening
	Sort by entries	[Nb of SA]	[Best Ident]	[Best Score]	Main Code	[Name]	[Number]	[Number]	Distribution of CDocking pKd	[Number]
1	X_NR1A1_THAA	17	86%	0.34	PF00105	C4_S1	17 - (0)	10	5 / 12 / -	7
2	X_NR1A1_THAB	17	86%	0.34	PF00105	C6_S1	17 - (0)	10	5 / 12 / -	7
3	X_NR1A2_THBA	17	94%	0.36	PF00105	C3_S1	17 - (0)	10	6 / 11 / -	7
4	X_NR1A2_THBB	17	93%	0.33	PF00105	C4_S1	17 - (0)	10	6 / 11 / -	7
5	X_NR1B3_RARG	37	94%	0.45	PF00105	C9_S1	38 - (0)	20	25 / 9 / 3	18
6	X_NR1C1_PPARA	318	90%	0.42	PF00105	C12_S1	423 - (0)	20	38 / 139 / 126	173
7	X_NR1C2_PPARD	99	76%	0.42	PF00105	C8_S1	149 - (0)	20	55 / 38 / 6	50
8	X_NR1C3_PPARG	227	86%	0.34	PF00105	C8_S1	268 - (0)	20	2 / 48 / 163	137
9	X_NR1I1_VDR	108	83%	0.33	PF00105	C8_S1	109 - (0)	20	102 / 6 / -	83
10	X_NR2B1_RXRA	96	99%	0.36	PF00105	C2_S1	100 - (0)	20	28 / 51 / 12	45
11	X_NR2B3_RXRG	94	90%	0.31	PF00105	C6_S1	98 - (0)	19	28 / 49 / 13	46
12	X_NR3A1_ESR1	489	84%	0.27	PF00105	C7_S1	526 - (0)	20	81 / 351 / 58	222
13	X_NR3C1_GCR	65	77%	0.20	PF00105	C10_S1	112 - (0)	20	24 / 36 / 5	32
14	X_NR3C2_MCR	52	85%	0.24	PF00105	C11_S1	64 - (0)	20	6 / 44 / 3	23

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