Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB_PF00105_NR (Mar 2016)

Download : Data.csv | 3D Models


Tab legend :
    Full name of ligand selected in the comparative docking column:

    General color information : Quality: [ Good | Correct | Uncertain ]
QueryStructural Alignment (SA)3D Modeling AnnotationLigands from PDB templatesPredicted 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		 Screening
(Multi Mol2 user file : ALL)
Sort by entries

 [Nb of SA]
 [Best Ident]
 [Best Score]
 Main Code
 [Name]
 [Number]
 [Number]
 Distribution of CDocking pKd
 [Number] Nb
R (BestAtome)
1PF00105_RXRG_HUMAN80 100% 0.530 PF00105 C3_S192 - (0)20 21 / 38 / 11 31 92 0.17
2PF00105_RXRA_MOUSE78 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 8 0.11
3PF00105_PPARG_HUMAN166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 83 186 -0.03
4PF00105_VDR_RAT54 100% 0.570 PF00105 C3_S168 - (0)20 52 / 2 / - 43 40 0.05
5PF00105_RXRA_HUMAN77 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 190 0.16
6PF00105_RORA_HUMAN23 100% 0.806 PF00105 C2_S144 - (0)20 2 / 17 / 2 15--
7PF00105_PPARD_HUMAN34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17 32 0.54
8PF00105_PPARA_HUMAN25 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14 64 0.52
9PF00105_ECR_DROME20 100% 0.461 PF00105 C1_S133 - (0)5 5 / 3 / - 4--
10PF00105_NR5A2_HUMAN20 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9--
11PF00105_ESR1_HUMAN181 100% 0.709 PF00105 C6_S1205 - (0)20 33 / 119 / 28 75 216 0.52
12PF00105_PPARG_CANFA166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 82--
13PF00105_RARA_HUMAN32 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 118 0.40
14PF00105_VDR_HUMAN54 100% 0.780 PF00105 C2_S167 - (0)20 52 / 2 / - 43 35 0.51
15PF00105_RARA_MOUSE32 100% 0.581 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 7 0.31
16PF00105_THA_CHICK19 100% 0.538 PF00105 C2_S138 - (0)9 4 / 12 / - 6--
17PF00105_COT2_HUMAN20 100% 0.565 PF00105 25 - (0)? - / - / - 0--
18PF00105_THB_RAT19 100% 0.556 PF00105 C3_S139 - (0)9 5 / 11 / - 6--
19PF00105_RXRA_RAT78 100% 0.660 PF00105 C4_S192 - (0)20 21 / 38 / 10 31 18 0.61
20PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--
21PF00105_RXRB_HUMAN80 100% 0.574 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 83 0.14
22PF00105_PRGR_PONPY34 100% 0.844 PF00105 C3_S157 - (0)20 7 / 27 / - 16 14 -0.05
23PF00105_RARB_HUMAN32 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 111 0.48
24PF00105_NR4A1_HUMAN25 100% 0.668 PF00105 C5_S125 - (0)2 - / - / 2 0--
25PF00105_NR1H2_HUMAN38 100% 0.679 PF00105 C4_S154 - (0)20 19 / 8 / 4 15 3 0.86
26PF00105_RARB_MOUSE32 100% 0.528 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 7 0.73
27PF00105_NR1H4_HUMAN40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20--
28PF00105_NR1I2_HUMAN20 100% 0.668 PF00105 C2_S129 - (0)5 1 / 3 / - 4--
29PF00105_ERR3_HUMAN27 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7--
30PF00105_ERR1_HUMAN23 100% 0.559 PF00105 C1_S133 - (0)13 2 / 12 / 2 8--
31PF00105_THB_HUMAN19 100% 0.525 PF00105 C1_S139 - (0)9 5 / 11 / - 6 86 0.16
32PF00105_ANDR_MOUSE78 100% 0.760 PF00105 C2_S1109 - (0)20 4 / 65 / 9 24--
33PF00105_RORG_HUMAN35 100% 0.620 PF00105 C3_S158 - (0)20 8 / 25 / 2 15--
34PF00105_RARG_MOUSE32 100% 0.832 PF00105 C3_S150 - (0)20 22 / 9 / 1 15 6 0.57
35PF00105_NR4A2_HUMAN20 100% 0.714 PF00105 21 - (0)? - / - / - 0--
36PF00105_ESR2_HUMAN66 100% 0.629 PF00105 C5_S190 - (0)20 4 / 52 / 10 29 183 0.22
37PF00105_ESR2_RAT65 100% 0.664 PF00105 C3_S170 - (0)20 4 / 49 / 10 27 2 -1.00
38PF00105_RARG_HUMAN32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15 115 0.58
39PF00105_ANDR_RAT77 100% 0.760 PF00105 C1_S191 - (0)20 4 / 64 / 9 24 48 -0.00
40PF00105_ANDR_HUMAN78 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24 686 0.04
41PF00105_NR1I3_HUMAN20 100% 0.612 PF00105 C2_S125 - (0)2 1 / 1 / - 2--
42PF00105_NR1H3_HUMAN39 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13 1 -
43PF00105_PRGR_HUMAN34 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16 424 -0.08
44PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
45PF00105_NR1I3_MOUSE20 99% 0.588 PF00105 C2_S136 - (0)2 - / 2 / - 2--
46PF00105_VDR_MOUSE54 99% 0.557 PF00105 C1_S167 - (0)20 52 / 2 / - 43--
47PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
48PF00105_NR2E3_HUMAN20 99% 0.577 PF00105 23 - (0)? - / - / - 0--
49PF00105_PRGR_RABIT34 99% 0.819 PF00105 C4_S156 - (0)20 7 / 27 / - 16 5 0.70
50PF00105_MCR_HUMAN32 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10 65 0.29

<< Page / 2 >> - Show