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)
50PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--
51PF00105_PPARA_CANFA25 97% 0.812 PF00105 C3_S140 - (0)20 12 / 7 / 5 14--
52PF00105_PPARA_MOUSE25 92% 0.807 PF00105 C3_S145 - (0)20 7 / 11 / 7 13--
53PF00105_ESR2_RAT65 100% 0.664 PF00105 C3_S170 - (0)20 4 / 49 / 10 27 2 -1.00
54PF00105_ERR2_HUMAN27 80% 0.612 PF00105 C4_S126 - (0)13 - / 15 / 6 7--
55PF00105_ERR3_HUMAN27 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7--
56PF00105_RARA_MOUSE32 100% 0.581 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 7 0.31
57PF00105_RARG_HUMAN32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15 115 0.58
58PF00105_RARG_MOUSE32 100% 0.832 PF00105 C3_S150 - (0)20 22 / 9 / 1 15 6 0.57
59PF00105_RARB_HUMAN32 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 111 0.48
60PF00105_ESR2_HUMAN66 100% 0.629 PF00105 C5_S190 - (0)20 4 / 52 / 10 29 183 0.22
61PF00105_RARA_HUMAN32 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 118 0.40
62PF00105_RARB_MOUSE32 100% 0.528 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 7 0.73
63PF00105_PPARD_MOUSE34 94% 0.789 PF00105 C4_S148 - (0)20 11 / 21 / 1 17--
64PF00105_PPARD_HUMAN34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17 32 0.54
65PF00105_PPARD_CANFA34 97% 0.816 PF00105 C5_S153 - (0)20 12 / 20 / 1 17--
66PF00105_NR1H3_HUMAN39 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13 1 -
67PF00105_NR1H2_HUMAN38 100% 0.679 PF00105 C4_S154 - (0)20 19 / 8 / 4 15 3 0.86
68PF00105_VDR_HUMAN54 100% 0.780 PF00105 C2_S167 - (0)20 52 / 2 / - 43 35 0.51
69PF00105_VDR_PIG54 96% 0.762 PF00105 C4_S167 - (0)20 52 / 2 / - 43 1 -
70PF00105_VDR_MOUSE54 99% 0.557 PF00105 C1_S167 - (0)20 52 / 2 / - 43--
71PF00105_VDR_BOVIN54 95% 0.548 PF00105 C2_S168 - (0)20 52 / 2 / - 43--
72PF00105_VDR_RAT54 100% 0.570 PF00105 C3_S168 - (0)20 52 / 2 / - 43 40 0.05
73PF00105_RXRB_HUMAN80 100% 0.574 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 83 0.14
74PF00105_RXRB_MOUSE80 98% 0.552 PF00105 C2_S193 - (0)20 21 / 38 / 10 31 52 0.29
75PF00105_RXRA_MOUSE78 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 8 0.11
76PF00105_RXRA_RAT78 100% 0.660 PF00105 C4_S192 - (0)20 21 / 38 / 10 31 18 0.61
77PF00105_RXRA_HUMAN77 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 190 0.16
78PF00105_RXRG_HUMAN80 100% 0.530 PF00105 C3_S192 - (0)20 21 / 38 / 11 31 92 0.17
79PF00105_RXRB_RAT78 98% 0.552 PF00105 C1_S193 - (0)19 21 / 37 / 10 31 17 0.53
80PF00105_RXRG_RAT80 97% 0.521 PF00105 C4_S193 - (0)20 21 / 38 / 11 31 17 0.51
81PF00105_RXRG_MOUSE80 98% 0.524 PF00105 C2_S192 - (0)20 21 / 38 / 11 31 44 0.35

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