Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
BDB (Jul 2014)

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)
350PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
351PF00102_PTN1_RAT32 96% 0.552 PF00102 C3_S142 - (6)20 2 / 19 / 10 16--
352PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
353PF00105_ANDR_MOUSE65 100% 0.208 PF00105 C4_S1125 - (0)20 3 / 67 / 23 22--
354PF00105_ANDR_RAT65 100% 0.211 PF00105 C2_S1122 - (0)20 3 / 67 / 20 22--
355PF00105_STF1_HUMAN8 99% 0.301 PF00105 C1_S128 - (0)8 6 / 2 / 1 7--
356PF00105_NR1H4_HUMAN35 100% 0.338 PF00105 C4_S158 - (0)20 30 / 3 / - 17--
357PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
358PF00105_RORA_HUMAN12 100% 0.349 PF00105 C3_S141 - (0)12 1 / 11 / 4 9--
359PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
360PF00105_GCR_MOUSE37 99% 0.208 PF00105 C4_S186 - (0)20 11 / 27 / 12 15--
361PF00105_GCR_RAT37 95% 0.197 PF00105 C2_S186 - (0)20 11 / 28 / 14 15--
362PF00105_PRGR_HUMAN35 100% 0.221 PF00105 C4_S167 - (0)20 6 / 31 / 4 19--
363PF00105_PRGR_RABIT35 99% 0.221 PF00105 C4_S172 - (0)20 6 / 32 / 5 19--
364PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
365PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
366PF00105_MCR_HUMAN29 99% 0.146 PF00105 C5_S153 - (0)16 1 / 28 / 3 8--
367PF00105_MCR_RAT30 94% 0.152 PF00105 C4_S154 - (0)17 1 / 28 / 2 12--
368PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
369PF00105_ERR1_HUMAN18 100% 0.287 PF00105 C1_S153 - (0)13 2 / 15 / 4 8--
370PF00105_THA_HUMAN16 90% 0.313 PF00105 C1_S140 - (0)10 - / 16 / - 6--
371PF00105_GAG_AVIER15 87% 0.209 PF00105 C1_S143 - (0)10 4 / 12 / 2 7--
372PF00105_THA_CHICK15 100% 0.330 PF00105 C3_S140 - (0)9 4 / 11 / - 6--
373PF00105_THB_HUMAN15 100% 0.302 PF00105 C2_S140 - (0)9 5 / 10 / - 6--
374PF00105_THB_RAT15 100% 0.322 PF00105 C2_S140 - (0)9 5 / 11 / - 6--
375PF00105_RARG_HUMAN24 100% 0.444 PF00105 C3_S168 - (0)17 16 / 9 / 6 12--
376PF00105_RARG_MOUSE24 100% 0.441 PF00105 C2_S168 - (0)17 16 / 9 / 6 12--
377PF00105_RARA_MOUSE25 99% 0.272 PF00105 C2_S177 - (0)19 15 / 10 / 14 12--
378PF00105_RARB_MOUSE25 100% 0.262 PF00105 C2_S175 - (0)19 16 / 9 / 12 12--
379PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
380PF00105_RARA_HUMAN24 100% 0.273 PF00105 C2_S172 - (0)19 15 / 9 / 14 12--
381PF00105_RARB_HUMAN25 100% 0.276 PF00105 C2_S171 - (0)19 16 / 10 / 13 12--
382PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
383PF00105_PPARA_MOUSE30 92% 0.501 PF00105 C4_S167 - (0)20 6 / 13 / 11 14--
384PF00105_PPARA_CANFA30 97% 0.490 PF00105 C3_S166 - (0)20 12 / 8 / 11 15--
385PF00105_PPARA_RAT30 92% 0.494 PF00105 C2_S166 - (0)20 6 / 12 / 12 14--
386PF00105_PPARD_CANFA33 97% 0.492 PF00105 C2_S145 - (0)20 12 / 20 / 1 17--
387PF00105_ERR2_HUMAN32 79% 0.267 PF00105 C5_S163 - (0)13 - / 18 / 16 7--
388PF00105_ESR2_HUMAN61 100% 0.274 PF00105 C4_S199 - (0)20 4 / 47 / 12 29--
389PF00105_ESR2_RAT62 100% 0.268 PF00105 C4_S1129 - (0)20 4 / 51 / 42 28--
390PF00105_ERR3_HUMAN32 100% 0.314 PF00105 C5_S162 - (0)13 2 / 20 / 12 7--
391PF00105_NR1H3_HUMAN32 100% 0.455 PF00105 C6_S162 - (0)20 15 / 11 / 7 11--
392PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
393PF00105_ESR1_HUMAN55 100% 0.269 PF00105 C6_S178 - (0)20 8 / 39 / 8 26--
394PF00105_ESR1_MOUSE55 97% 0.276 PF00105 C5_S178 - (0)20 8 / 37 / 10 25--
395PF00105_ESR1_RAT55 96% 0.303 PF00105 C5_S178 - (0)20 8 / 37 / 10 24--
396PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
397PF00105_RXRB_HUMAN34 100% 0.340 PF00105 C5_S150 - (0)20 19 / 10 / 5 17--
398PF00105_RXRB_MOUSE34 98% 0.335 PF00105 C4_S150 - (0)20 19 / 10 / 5 17--
399PF00105_RXRB_RAT34 98% 0.381 PF00105 C2_S142 - (0)20 18 / 11 / 5 17--
400PF00105_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--

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