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_ESR1_HUMAN181 100% 0.709 PF00105 C6_S1205 - (0)20 33 / 119 / 28 75 216 0.52
2PF00105_ESR1_MOUSE180 97% 0.731 PF00105 C4_S1204 - (0)20 33 / 119 / 27 75 1 -
3PF00105_ESR1_RAT180 97% 0.743 PF00105 C5_S1204 - (0)20 33 / 119 / 27 75 1 -
4PF00105_ANDR_MOUSE78 100% 0.760 PF00105 C2_S1109 - (0)20 4 / 65 / 9 24--
5PF00105_ANDR_RAT77 100% 0.760 PF00105 C1_S191 - (0)20 4 / 64 / 9 24 48 -0.00
6PF00105_ANDR_HUMAN78 100% 0.760 PF00105 C2_S1110 - (0)20 4 / 65 / 9 24 686 0.04
7PF00105_PPARG_HUMAN166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 83 186 -0.03
8PF00105_PPARG_MOUSE166 98% 0.615 PF00105 C3_S1200 - (0)20 55 / 62 / 47 89 1 -
9PF00105_PPARG_RAT166 98% 0.614 PF00105 C3_S1201 - (0)20 55 / 62 / 47 89 11 0.49
10PF00105_PPARG_CANFA166 100% 0.617 PF00105 C3_S1201 - (0)20 55 / 62 / 47 82--
11PF00105_NR2C2_HUMAN20 38% 0.373 PF00105 13 - (0)? - / - / - 0--
12PF00105_NR1D1_HUMAN20 73% 0.472 PF00105 C2_S131 - (0)1 1 / - / - 1--
13PF00105_ECR_AEDAE20 72% 0.432 PF00105 C3_S133 - (0)6 5 / 4 / - 5--
14PF00105_ECR_LUCCU20 73% 0.448 PF00105 C1_S133 - (0)6 5 / 4 / 1 4--
15PF00105_ECR_BOMMO20 89% 0.489 PF00105 C3_S133 - (0)5 6 / 2 / - 4--
16PF00105_NR4A2_HUMAN20 100% 0.714 PF00105 21 - (0)? - / - / - 0--
17PF00105_ECR_DROME20 100% 0.461 PF00105 C1_S133 - (0)5 5 / 3 / - 4--
18PF00105_NR1D2_HUMAN20 98% 0.674 PF00105 C3_S133 - (0)1 1 / - / - 1--
19PF00105_PRGR_HUMAN34 100% 0.821 PF00105 C2_S154 - (0)20 7 / 27 / - 16 424 -0.08
20PF00105_NR5A2_HUMAN20 100% 0.675 PF00105 C1_S130 - (0)13 12 / 3 / - 9--
21PF00105_MCR_HUMAN32 99% 0.590 PF00105 C5_S134 - (0)16 2 / 25 / 2 10 65 0.29
22PF00105_PRGR_RABIT34 99% 0.819 PF00105 C4_S156 - (0)20 7 / 27 / - 16 5 0.70
23PF00105_PRGR_RAT34 96% 0.841 PF00105 C3_S156 - (0)20 7 / 27 / - 16--
24PF00105_MCR_RAT32 94% 0.590 PF00105 C3_S134 - (0)16 2 / 25 / 2 10--
25PF00105_STF1_HUMAN20 99% 0.597 PF00105 C2_S125 - (0)12 10 / 2 / - 9--
26PF00105_NR4A1_HUMAN25 100% 0.668 PF00105 C5_S125 - (0)2 - / - / 2 0--
27PF00105_NR1H4_HUMAN40 100% 0.717 PF00105 C3_S162 - (0)20 33 / 5 / 3 20--
28PF00105_NR1H4_MOUSE40 98% 0.697 PF00105 C2_S160 - (0)20 33 / 4 / 3 18--
29PF00105_NR1I3_HUMAN20 100% 0.612 PF00105 C2_S125 - (0)2 1 / 1 / - 2--
30PF00105_PRGR_PONPY34 100% 0.844 PF00105 C3_S157 - (0)20 7 / 27 / - 16 14 -0.05
31PF00105_RORA_HUMAN23 100% 0.806 PF00105 C2_S144 - (0)20 2 / 17 / 2 15--
32PF00105_GCR_HUMAN39 99% 0.612 PF00105 C4_S145 - (0)20 13 / 20 / 1 11 538 0.09
33PF00105_GCR_RAT40 95% 0.607 PF00105 C2_S146 - (0)20 13 / 21 / 1 11--
34PF00105_RORG_HUMAN35 100% 0.620 PF00105 C3_S158 - (0)20 8 / 25 / 2 15--
35PF00105_GCR_MOUSE40 99% 0.633 PF00105 C1_S146 - (0)20 13 / 21 / 1 11--
36PF00105_ERR1_HUMAN23 100% 0.559 PF00105 C1_S133 - (0)13 2 / 12 / 2 8--
37PF00105_NR2E3_HUMAN20 99% 0.577 PF00105 23 - (0)? - / - / - 0--
38PF00105_COT1_HUMAN20 96% 0.552 PF00105 27 - (0)? - / - / - 0--
39PF00105_VDR_CHICK22 98% 0.544 PF00105 C1_S135 - (0)20 22 / - / - 21 1 -
40PF00105_GAG_AVIER20 88% 0.490 PF00105 C1_S135 - (0)10 4 / 12 / - 7--
41PF00105_COT2_HUMAN20 100% 0.565 PF00105 25 - (0)? - / - / - 0--
42PF00105_NR1I2_HUMAN20 100% 0.668 PF00105 C2_S129 - (0)5 1 / 3 / - 4--
43PF00105_THA_CHICK19 100% 0.538 PF00105 C2_S138 - (0)9 4 / 12 / - 6--
44PF00105_THB_RAT19 100% 0.556 PF00105 C3_S139 - (0)9 5 / 11 / - 6--
45PF00105_THB_HUMAN19 100% 0.525 PF00105 C1_S139 - (0)9 5 / 11 / - 6 86 0.16
46PF00105_PPARA_HUMAN25 100% 0.822 PF00105 C3_S138 - (0)20 13 / 6 / 5 14 64 0.52
47PF00105_THA_HUMAN20 90% 0.523 PF00105 C1_S139 - (0)10 - / 17 / - 7 79 0.02
48PF00105_NR1I3_MOUSE20 99% 0.588 PF00105 C2_S136 - (0)2 - / 2 / - 2--
49PF00105_PPARA_RAT25 93% 0.808 PF00105 C4_S141 - (0)20 7 / 11 / 7 13--
50PF00105_HNF4A_HUMAN20 100% 0.538 PF00105 C5_S135 - (0)5 - / 3 / 5 3--

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