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_ANDR_HUMAN78 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24 686 0.04
2PF00105_ANDR_MOUSE78 100% 0.760 PF00105 C2_S1109 - (0)20 4 / 65 / 9 24--
3PF00105_ANDR_RAT77 100% 0.760 PF00105 C1_S191 - (0)20 4 / 64 / 9 24 48 -0.00
4PF00105_COT1_HUMAN20 96% 0.552 PF00105 27 - (0)? - / - / - 0--
5PF00105_COT2_HUMAN20 100% 0.565 PF00105 25 - (0)? - / - / - 0--
6PF00105_ECR_AEDAE20 72% 0.432 PF00105 C3_S133 - (0)6 5 / 4 / - 5--
7PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--
8PF00105_ECR_DROME20 100% 0.461 PF00105 C1_S133 - (0)5 5 / 3 / - 4--
9PF00105_ECR_LUCCU20 73% 0.448 PF00105 C1_S133 - (0)6 5 / 4 / 1 4--
10PF00105_ERR1_HUMAN23 100% 0.559 PF00105 C1_S133 - (0)13 2 / 12 / 2 8--
11PF00105_ERR2_HUMAN27 80% 0.612 PF00105 C4_S126 - (0)13 - / 15 / 6 7--
12PF00105_ERR3_HUMAN27 100% 0.633 PF00105 C5_S143 - (0)13 2 / 18 / 2 7--
13PF00105_ESR1_HUMAN181 100% 0.709 PF00105 C6_S1205 - (0)20 33 / 119 / 28 75 216 0.52
14PF00105_ESR1_MOUSE180 97% 0.731 PF00105 C4_S1204 - (0)20 33 / 119 / 27 75 1 -
15PF00105_ESR1_RAT180 97% 0.743 PF00105 C5_S1204 - (0)20 33 / 119 / 27 75 1 -
16PF00105_ESR2_HUMAN66 100% 0.629 PF00105 C5_S190 - (0)20 4 / 52 / 10 29 183 0.22
17PF00105_ESR2_RAT65 100% 0.664 PF00105 C3_S170 - (0)20 4 / 49 / 10 27 2 -1.00
18PF00105_GAG_AVIER20 88% 0.490 PF00105 C1_S135 - (0)10 4 / 12 / - 7--
19PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
20PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
21PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
22PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--
23PF00105_MCR_HUMAN32 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10 65 0.29
24PF00105_MCR_RAT32 94% 0.590 PF00105 C3_S134 - (0)16 2 / 25 / 2 10--
25PF00105_NR1D1_HUMAN20 73% 0.472 PF00105 C2_S131 - (0)1 1 / - / - 1--
26PF00105_NR1D2_HUMAN20 98% 0.674 PF00105 C3_S133 - (0)1 1 / - / - 1--
27PF00105_NR1H2_HUMAN38 100% 0.679 PF00105 C4_S154 - (0)20 19 / 8 / 4 15 3 0.86
28PF00105_NR1H3_HUMAN39 100% 0.564 PF00105 C2_S163 - (0)20 21 / 10 / 6 13 1 -
29PF00105_NR1H4_HUMAN40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20--
30PF00105_NR1H4_MOUSE40 98% 0.697 PF00105 C2_S160 - (0)20 33 / 4 / 3 18--
31PF00105_NR1I2_HUMAN20 100% 0.668 PF00105 C2_S129 - (0)5 1 / 3 / - 4--
32PF00105_NR1I3_HUMAN20 100% 0.612 PF00105 C2_S125 - (0)2 1 / 1 / - 2--
33PF00105_NR1I3_MOUSE20 99% 0.588 PF00105 C2_S136 - (0)2 - / 2 / - 2--
34PF00105_NR2C2_HUMAN20 38% 0.373 PF00105 13 - (0)? - / - / - 0--
35PF00105_NR2E3_HUMAN20 99% 0.577 PF00105 23 - (0)? - / - / - 0--
36PF00105_NR4A1_HUMAN25 100% 0.668 PF00105 C5_S125 - (0)2 - / - / 2 0--
37PF00105_NR4A2_HUMAN20 100% 0.714 PF00105 21 - (0)? - / - / - 0--
38PF00105_NR5A2_HUMAN20 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9--
39PF00105_PPARA_CANFA25 97% 0.812 PF00105 C3_S140 - (0)20 12 / 7 / 5 14--
40PF00105_PPARA_HUMAN25 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14 64 0.52
41PF00105_PPARA_MOUSE25 92% 0.807 PF00105 C3_S145 - (0)20 7 / 11 / 7 13--
42PF00105_PPARA_RAT25 93% 0.808 PF00105 C4_S141 - (0)20 7 / 11 / 7 13--
43PF00105_PPARD_CANFA34 97% 0.816 PF00105 C5_S153 - (0)20 12 / 20 / 1 17--
44PF00105_PPARD_HUMAN34 100% 0.816 PF00105 C3_S153 - (0)20 12 / 20 / 1 17 32 0.54
45PF00105_PPARD_MOUSE34 94% 0.789 PF00105 C4_S148 - (0)20 11 / 21 / 1 17--
46PF00105_PPARG_CANFA166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 82--
47PF00105_PPARG_HUMAN166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 83 186 -0.03
48PF00105_PPARG_MOUSE166 98% 0.615 PF00105 C3_S1200 - (0)20 55 / 62 / 47 89 1 -
49PF00105_PPARG_RAT166 98% 0.614 PF00105 C3_S1201 - (0)20 55 / 62 / 47 89 11 0.49
50PF00105_PRGR_HUMAN34 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16 424 -0.08

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