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_ESR2_RAT65 100% 0.664 PF00105 C3_S170 - (0)20 4 / 49 / 10 27 2 -1.00
2PF00105_PRGR_HUMAN34 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16 424 -0.08
3PF00105_PRGR_PONPY34 100% 0.844 PF00105 C3_S157 - (0)20 7 / 27 / - 16 14 -0.05
4PF00105_PPARG_HUMAN166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 83 186 -0.03
5PF00105_ANDR_RAT77 100% 0.760 PF00105 C1_S191 - (0)20 4 / 64 / 9 24 48 -0.00
6PF00105_THA_HUMAN20 90% 0.523 PF00105 C1_S139 - (0)10 - / 17 / - 7 79 0.02
7PF00105_ANDR_HUMAN78 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24 686 0.04
8PF00105_VDR_RAT54 100% 0.570 PF00105 C3_S168 - (0)20 52 / 2 / - 43 40 0.05
9PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
10PF00105_RXRA_MOUSE78 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 8 0.11
11PF00105_RXRB_HUMAN80 100% 0.574 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 83 0.14
12PF00105_THB_HUMAN19 100% 0.525 PF00105 C1_S139 - (0)9 5 / 11 / - 6 86 0.16
13PF00105_RXRA_HUMAN77 100% 0.659 PF00105 C3_S193 - (0)20 21 / 38 / 10 31 190 0.16
14PF00105_RXRG_HUMAN80 100% 0.530 PF00105 C3_S192 - (0)20 21 / 38 / 11 31 92 0.17
15PF00105_ESR2_HUMAN66 100% 0.629 PF00105 C5_S190 - (0)20 4 / 52 / 10 29 183 0.22
16PF00105_RXRB_MOUSE80 98% 0.552 PF00105 C2_S193 - (0)20 21 / 38 / 10 31 52 0.29
17PF00105_MCR_HUMAN32 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10 65 0.29
18PF00105_RARA_MOUSE32 100% 0.581 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 7 0.31
19PF00105_RXRG_MOUSE80 98% 0.524 PF00105 C2_S192 - (0)20 21 / 38 / 11 31 44 0.35
20PF00105_RARA_HUMAN32 100% 0.576 PF00105 C5_S150 - (0)20 22 / 8 / 2 15 118 0.40
21PF00105_RARB_HUMAN32 100% 0.526 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 111 0.48
22PF00105_PPARG_RAT166 98% 0.614 PF00105 C3_S1201 - (0)20 55 / 62 / 47 89 11 0.49
23PF00105_VDR_HUMAN54 100% 0.780 PF00105 C2_S167 - (0)20 52 / 2 / - 43 35 0.51
24PF00105_RXRG_RAT80 97% 0.521 PF00105 C4_S193 - (0)20 21 / 38 / 11 31 17 0.51
25PF00105_ESR1_HUMAN181 100% 0.709 PF00105 C6_S1205 - (0)20 33 / 119 / 28 75 216 0.52
26PF00105_PPARA_HUMAN25 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14 64 0.52
27PF00105_RXRB_RAT78 98% 0.552 PF00105 C1_S193 - (0)19 21 / 37 / 10 31 17 0.53
28PF00105_PPARD_HUMAN34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17 32 0.54
29PF00105_RARG_MOUSE32 100% 0.832 PF00105 C3_S150 - (0)20 22 / 9 / 1 15 6 0.57
30PF00105_RARG_HUMAN32 100% 0.868 PF00105 C4_S150 - (0)20 22 / 9 / 1 15 115 0.58
31PF00105_RXRA_RAT78 100% 0.660 PF00105 C4_S192 - (0)20 21 / 38 / 10 31 18 0.61
32PF00105_PRGR_RABIT34 99% 0.819 PF00105 C4_S156 - (0)20 7 / 27 / - 16 5 0.70
33PF00105_RARB_MOUSE32 100% 0.528 PF00105 C2_S150 - (0)20 22 / 8 / 2 15 7 0.73
34PF00105_NR1H2_HUMAN38 100% 0.679 PF00105 C4_S154 - (0)20 19 / 8 / 4 15 3 0.86
35PF00105_ANDR_MOUSE78 100% 0.760 PF00105 C2_S1109 - (0)20 4 / 65 / 9 24--
36PF00105_COT1_HUMAN20 96% 0.552 PF00105 27 - (0)? - / - / - 0--
37PF00105_COT2_HUMAN20 100% 0.565 PF00105 25 - (0)? - / - / - 0--
38PF00105_ECR_AEDAE20 72% 0.432 PF00105 C3_S133 - (0)6 5 / 4 / - 5--
39PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--
40PF00105_ECR_DROME20 100% 0.461 PF00105 C1_S133 - (0)5 5 / 3 / - 4--
41PF00105_ECR_LUCCU20 73% 0.448 PF00105 C1_S133 - (0)6 5 / 4 / 1 4--
42PF00105_ERR1_HUMAN23 100% 0.559 PF00105 C1_S133 - (0)13 2 / 12 / 2 8--
43PF00105_ERR2_HUMAN27 80% 0.612 PF00105 C4_S126 - (0)13 - / 15 / 6 7--
44PF00105_ERR3_HUMAN27 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7--
45PF00105_ESR1_MOUSE180 97% 0.731 PF00105 C4_S1204 - (0)20 33 / 119 / 27 75 1 -
46PF00105_ESR1_RAT180 97% 0.743 PF00105 C5_S1204 - (0)20 33 / 119 / 27 75 1 -
47PF00105_GAG_AVIER20 88% 0.490 PF00105 C1_S135 - (0)10 4 / 12 / - 7--
48PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
49PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
50PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--

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