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_RARG_HUMAN32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15 115 0.58
2PF00105_PRGR_PONPY34 100% 0.844 PF00105 C3_S157 - (0)20 7 / 27 / - 16 14 -0.05
3PF00105_PRGR_RAT34 96% 0.841 PF00105 C3_S156 - (0)20 7 / 27 / - 16--
4PF00105_RARG_MOUSE32 100% 0.832 PF00105 C3_S150 - (0)20 22 / 9 / 1 15 6 0.57
5PF00105_PPARA_HUMAN25 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14 64 0.52
6PF00105_PRGR_HUMAN34 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16 424 -0.08
7PF00105_PRGR_RABIT34 99% 0.819 PF00105 C4_S156 - (0)20 7 / 27 / - 16 5 0.70
8PF00105_PPARD_CANFA34 97% 0.816 PF00105 C5_S153 - (0)20 12 / 20 / 1 17--
9PF00105_PPARD_HUMAN34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17 32 0.54
10PF00105_PPARA_CANFA25 97% 0.812 PF00105 C3_S140 - (0)20 12 / 7 / 5 14--
11PF00105_PPARA_RAT25 93% 0.808 PF00105 C4_S141 - (0)20 7 / 11 / 7 13--
12PF00105_PPARA_MOUSE25 92% 0.807 PF00105 C3_S145 - (0)20 7 / 11 / 7 13--
13PF00105_RORA_HUMAN23 100% 0.806 PF00105 C2_S144 - (0)20 2 / 17 / 2 15--
14PF00105_PPARD_MOUSE34 94% 0.789 PF00105 C4_S148 - (0)20 11 / 21 / 1 17--
15PF00105_VDR_HUMAN54 100% 0.780 PF00105 C2_S167 - (0)20 52 / 2 / - 43 35 0.51
16PF00105_VDR_PIG54 96% 0.762 PF00105 C4_S167 - (0)20 52 / 2 / - 43 1 -
17PF00105_ANDR_RAT77 100% 0.760 PF00105 C1_S191 - (0)20 4 / 64 / 9 24 48 -0.00
18PF00105_ANDR_MOUSE78 100% 0.760 PF00105 C2_S1109 - (0)20 4 / 65 / 9 24--
19PF00105_ANDR_HUMAN78 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24 686 0.04
20PF00105_ESR1_RAT180 97% 0.743 PF00105 C5_S1204 - (0)20 33 / 119 / 27 75 1 -
21PF00105_ESR1_MOUSE180 97% 0.731 PF00105 C4_S1204 - (0)20 33 / 119 / 27 75 1 -
22PF00105_NR1H4_HUMAN40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20--
23PF00105_NR4A2_HUMAN20 100% 0.714 PF00105 21 - (0)? - / - / - 0--
24PF00105_ESR1_HUMAN181 100% 0.709 PF00105 C6_S1205 - (0)20 33 / 119 / 28 75 216 0.52
25PF00105_NR1H4_MOUSE40 98% 0.697 PF00105 C2_S160 - (0)20 33 / 4 / 3 18--
26PF00105_NR1H2_HUMAN38 100% 0.679 PF00105 C4_S154 - (0)20 19 / 8 / 4 15 3 0.86
27PF00105_NR5A2_HUMAN20 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9--
28PF00105_NR1D2_HUMAN20 98% 0.674 PF00105 C3_S133 - (0)1 1 / - / - 1--
29PF00105_NR1I2_HUMAN20 100% 0.668 PF00105 C2_S129 - (0)5 1 / 3 / - 4--
30PF00105_NR4A1_HUMAN25 100% 0.668 PF00105 C5_S125 - (0)2 - / - / 2 0--
31PF00105_ESR2_RAT65 100% 0.664 PF00105 C3_S170 - (0)20 4 / 49 / 10 27 2 -1.00
32PF00105_RXRA_RAT78 100% 0.660 PF00105 C4_S192 - (0)20 21 / 38 / 10 31 18 0.61
33PF00105_RXRA_MOUSE78 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 8 0.11
34PF00105_RXRA_HUMAN77 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 190 0.16
35PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
36PF00105_ERR3_HUMAN27 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7--
37PF00105_ESR2_HUMAN66 100% 0.629 PF00105 C5_S190 - (0)20 4 / 52 / 10 29 183 0.22
38PF00105_RORG_HUMAN35 100% 0.620 PF00105 C3_S158 - (0)20 8 / 25 / 2 15--
39PF00105_PPARG_HUMAN166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 83 186 -0.03
40PF00105_PPARG_CANFA166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 82--
41PF00105_PPARG_MOUSE166 98% 0.615 PF00105 C3_S1200 - (0)20 55 / 62 / 47 89 1 -
42PF00105_PPARG_RAT166 98% 0.614 PF00105 C3_S1201 - (0)20 55 / 62 / 47 89 11 0.49
43PF00105_ERR2_HUMAN27 80% 0.612 PF00105 C4_S126 - (0)13 - / 15 / 6 7--
44PF00105_NR1I3_HUMAN20 100% 0.612 PF00105 C2_S125 - (0)2 1 / 1 / - 2--
45PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
46PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
47PF00105_STF1_HUMAN20 99% 0.597 PF00105 C2_S125 - (0)12 10 / 2 / - 9--
48PF00105_MCR_RAT32 94% 0.590 PF00105 C3_S134 - (0)16 2 / 25 / 2 10--
49PF00105_MCR_HUMAN32 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10 65 0.29
50PF00105_NR1I3_MOUSE20 99% 0.588 PF00105 C2_S136 - (0)2 - / 2 / - 2--

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