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_PPARG_RAT166 98% 0.614 PF00105 C3_S1201 - (0)20 55 / 62 / 47 89 11 0.49
2PF00105_PPARG_HUMAN166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 83 186 -0.03
3PF00105_PPARG_MOUSE166 98% 0.615 PF00105 C3_S1200 - (0)20 55 / 62 / 47 89 1 -
4PF00105_PPARG_CANFA166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 82--
5PF00105_VDR_PIG54 96% 0.762 PF00105 C4_S167 - (0)20 52 / 2 / - 43 1 -
6PF00105_VDR_MOUSE54 99% 0.557 PF00105 C1_S167 - (0)20 52 / 2 / - 43--
7PF00105_VDR_HUMAN54 100% 0.780 PF00105 C2_S167 - (0)20 52 / 2 / - 43 35 0.51
8PF00105_VDR_BOVIN54 95% 0.548 PF00105 C2_S168 - (0)20 52 / 2 / - 43--
9PF00105_VDR_RAT54 100% 0.570 PF00105 C3_S168 - (0)20 52 / 2 / - 43 40 0.05
10PF00105_ESR1_HUMAN181 100% 0.709 PF00105 C6_S1205 - (0)20 33 / 119 / 28 75 216 0.52
11PF00105_ESR1_MOUSE180 97% 0.731 PF00105 C4_S1204 - (0)20 33 / 119 / 27 75 1 -
12PF00105_ESR1_RAT180 97% 0.743 PF00105 C5_S1204 - (0)20 33 / 119 / 27 75 1 -
13PF00105_NR1H4_HUMAN40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20--
14PF00105_NR1H4_MOUSE40 98% 0.697 PF00105 C2_S160 - (0)20 33 / 4 / 3 18--
15PF00105_RARG_MOUSE32 100% 0.832 PF00105 C3_S150 - (0)20 22 / 9 / 1 15 6 0.57
16PF00105_RARG_HUMAN32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15 115 0.58
17PF00105_RARB_HUMAN32 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 111 0.48
18PF00105_RARA_MOUSE32 100% 0.581 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 7 0.31
19PF00105_RARB_MOUSE32 100% 0.528 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 7 0.73
20PF00105_RARA_HUMAN32 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 118 0.40
21PF00105_VDR_CHICK22 98% 0.544 PF00105 C1_S135 - (0)20 22 / - / - 21 1 -
22PF00105_RXRG_HUMAN80 100% 0.530 PF00105 C3_S192 - (0)20 21 / 38 / 11 31 92 0.17
23PF00105_RXRG_RAT80 97% 0.521 PF00105 C4_S193 - (0)20 21 / 38 / 11 31 17 0.51
24PF00105_RXRG_MOUSE80 98% 0.524 PF00105 C2_S192 - (0)20 21 / 38 / 11 31 44 0.35
25PF00105_RXRA_RAT78 100% 0.660 PF00105 C4_S192 - (0)20 21 / 38 / 10 31 18 0.61
26PF00105_RXRB_HUMAN80 100% 0.574 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 83 0.14
27PF00105_RXRB_MOUSE80 98% 0.552 PF00105 C2_S193 - (0)20 21 / 38 / 10 31 52 0.29
28PF00105_RXRA_HUMAN77 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 190 0.16
29PF00105_RXRA_MOUSE78 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 8 0.11
30PF00105_RXRB_RAT78 98% 0.552 PF00105 C1_S193 - (0)19 21 / 37 / 10 31 17 0.53
31PF00105_NR1H3_HUMAN39 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13 1 -
32PF00105_NR1H2_HUMAN38 100% 0.679 PF00105 C4_S154 - (0)20 19 / 8 / 4 15 3 0.86
33PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
34PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
35PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
36PF00105_PPARA_HUMAN25 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14 64 0.52
37PF00105_PPARD_HUMAN34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17 32 0.54
38PF00105_PPARD_CANFA34 97% 0.816 PF00105 C5_S153 - (0)20 12 / 20 / 1 17--
39PF00105_PPARA_CANFA25 97% 0.812 PF00105 C3_S140 - (0)20 12 / 7 / 5 14--
40PF00105_NR5A2_HUMAN20 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9--
41PF00105_PPARD_MOUSE34 94% 0.789 PF00105 C4_S148 - (0)20 11 / 21 / 1 17--
42PF00105_STF1_HUMAN20 99% 0.597 PF00105 C2_S125 - (0)12 10 / 2 / - 9--
43PF00105_RORG_HUMAN35 100% 0.620 PF00105 C3_S158 - (0)20 8 / 25 / 2 15--
44PF00105_PRGR_RAT34 96% 0.841 PF00105 C3_S156 - (0)20 7 / 27 / - 16--
45PF00105_PRGR_PONPY34 100% 0.844 PF00105 C3_S157 - (0)20 7 / 27 / - 16 14 -0.05
46PF00105_PRGR_HUMAN34 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16 424 -0.08
47PF00105_PRGR_RABIT34 99% 0.819 PF00105 C4_S156 - (0)20 7 / 27 / - 16 5 0.70
48PF00105_PPARA_MOUSE25 92% 0.807 PF00105 C3_S145 - (0)20 7 / 11 / 7 13--
49PF00105_PPARA_RAT25 93% 0.808 PF00105 C4_S141 - (0)20 7 / 11 / 7 13--
50PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--

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