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)
400PF00105_RARG_MOUSE24 100% 0.441 PF00105 C2_S168 - (0)17 16 / 9 / 6 12--
401PF00105_RORA_HUMAN12 100% 0.349 PF00105 C3_S141 - (0)12 1 / 11 / 4 9--
402PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
403PF00105_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--
404PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
405PF00105_RXRA_RAT33 100% 0.451 PF00105 C4_S149 - (0)20 16 / 13 / 4 15--
406PF00105_RXRB_HUMAN34 100% 0.340 PF00105 C5_S150 - (0)20 19 / 10 / 5 17--
407PF00105_RXRB_MOUSE34 98% 0.335 PF00105 C4_S150 - (0)20 19 / 10 / 5 17--
408PF00105_RXRB_RAT34 98% 0.381 PF00105 C2_S142 - (0)20 18 / 11 / 5 17--
409PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
410PF00105_RXRG_MOUSE32 95% 0.361 PF00105 C3_S141 - (0)20 14 / 14 / 4 14--
411PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
412PF00105_STF1_HUMAN8 99% 0.301 PF00105 C1_S128 - (0)8 6 / 2 / 1 7--
413PF00105_THA_CHICK15 100% 0.330 PF00105 C3_S140 - (0)9 4 / 11 / - 6--
414PF00105_THA_HUMAN16 90% 0.313 PF00105 C1_S140 - (0)10 - / 16 / - 6--
415PF00105_THB_HUMAN15 100% 0.302 PF00105 C2_S140 - (0)9 5 / 10 / - 6--
416PF00105_THB_RAT15 100% 0.322 PF00105 C2_S140 - (0)9 5 / 11 / - 6--
417PF00105_VDR_BOVIN50 90% 0.420 PF00105 C4_S169 - (0)20 48 / 2 / - 42--
418PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
419PF00105_VDR_HUMAN50 99% 0.428 PF00105 C5_S168 - (0)20 48 / 2 / - 42--
420PF00105_VDR_MOUSE50 97% 0.299 PF00105 C4_S169 - (0)20 49 / 2 / - 42--
421PF00105_VDR_PIG50 93% 0.435 PF00105 C5_S169 - (0)20 48 / 2 / - 42--
422PF00105_VDR_RAT50 99% 0.298 PF00105 C5_S169 - (0)20 49 / 2 / - 42--
423PF00106_DHB1_HUMAN29 100% 0.749 PF00106 C2_S161 - (55)13 12 / 16 / 13 9--
424PF00106_DHI1_HUMAN61 100% 0.477 PF00106 C1_S1141 - (84)8 63 / 30 / 8 13--
425PF00106_DHI1_MOUSE55 100% 0.467 PF00106 C4_S1129 - (74)20 55 / 26 / 15 16--
426PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
427PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
428PF00107_ADH1B_HUMAN53 100% 0.772 PF00107 C1_S1114 - (70)20 33 / 3 / 30 12--
429PF00107_ADH7_HUMAN17 100% 0.732 PF00107 C1_S151 - (37)15 15 / - / 10 8--
430PF00112_CATF_HUMAN20 99% 0.340 PF00112 C3_S135 - (0)20 - / 7 / 13 13--
431PF00112_CATH_HUMAN22 93% 0.426 PF00112 C3_S134 - (0)13 - / - / 15 9--
432PF00112_CATH_RAT22 85% 0.514 PF00112 C2_S135 - (0)13 - / - / 16 10--
433PF00112_CATK_CANFA50 99% 0.535 PF00112 C3_S167 - (0)20 - / 10 / 38 32--
434PF00112_CATK_HUMAN50 100% 0.538 PF00112 C4_S167 - (0)20 - / 10 / 37 33--
435PF00112_CATK_RABIT51 99% 0.514 PF00112 C4_S167 - (0)20 - / 3 / 40 29--
436PF00112_CATK_RAT50 90% 0.430 PF00112 C3_S167 - (0)20 - / 3 / 42 30--
437PF00112_CATL1_BOVIN24 83% 0.466 PF00112 C4_S134 - (0)19 2 / 5 / 14 10--
438PF00112_CATL1_HUMAN24 100% 0.748 PF00112 C5_S134 - (0)19 2 / 7 / 12 10--
439PF00112_CATL1_MOUSE24 78% 0.438 PF00112 C4_S134 - (0)19 2 / 5 / 14 10--
440PF00112_CATL1_RAT24 79% 0.452 PF00112 C5_S134 - (0)19 2 / 5 / 14 10--
441PF00112_CATL2_HUMAN24 99% 0.546 PF00112 C5_S134 - (0)18 - / 6 / 14 10--
442PF00112_CATS_HUMAN54 100% 0.591 PF00112 C5_S177 - (0)20 5 / 14 / 34 22--
443PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
444PF00112_CYSP_TRYCR15 100% 0.397 PF00112 C1_S131 - (0)15 - / 3 / 12 6--
445PF00112_LMCPB_LEIME14 60% 0.334 PF00112 C2_S117 - (0)15 - / 5 / 9 12--
446PF00112_PEPT1_DERPT14 100% 0.465 PF00112 C1_S124 - (0)13 - / 1 / 12 9--
447PF00121_TPIS_TRYCR24 100% 0.851 PF00121 C6_S131 - (21)19 - / - / 25 9--
448PF00128_MALX3_YEAST21 100% 0.516 PF00128 C1_S146 - (0)14 - / - / 21 6--
449PF00135_ACES_ELEEL20 88% 0.443 PF00135 C1_S130 - (5)20 2 / 6 / 9 11--
450PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--

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