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_RXRA_HUMAN33 100% 0.455 PF00105 C4_S149 - (0)20 15 / 13 / 4 16--
401PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
402PF00105_RXRA_RAT33 100% 0.451 PF00105 C4_S149 - (0)20 16 / 13 / 4 15--
403PF00105_RXRG_HUMAN32 95% 0.363 PF00105 C5_S149 - (0)20 13 / 15 / 4 13--
404PF00105_RXRG_MOUSE32 95% 0.361 PF00105 C3_S141 - (0)20 14 / 14 / 4 14--
405PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
406PF00105_VDR_BOVIN50 90% 0.420 PF00105 C4_S169 - (0)20 48 / 2 / - 42--
407PF00105_VDR_MOUSE50 97% 0.299 PF00105 C4_S169 - (0)20 49 / 2 / - 42--
408PF00105_VDR_PIG50 93% 0.435 PF00105 C5_S169 - (0)20 48 / 2 / - 42--
409PF00105_VDR_RAT50 99% 0.298 PF00105 C5_S169 - (0)20 49 / 2 / - 42--
410PF00105_VDR_HUMAN50 99% 0.428 PF00105 C5_S168 - (0)20 48 / 2 / - 42--
411PF00105_PPARG_HUMAN61 100% 0.444 PF00105 C3_S182 - (0)20 5 / 27 / 33 33--
412PF00105_PPARG_MOUSE61 98% 0.442 PF00105 C5_S182 - (0)20 5 / 27 / 33 33--
413PF00105_PPARG_RAT61 99% 0.441 PF00105 C6_S182 - (0)20 5 / 27 / 33 33--
414PF00105_PPARG_CANFA61 100% 0.444 PF00105 C6_S183 - (0)20 5 / 27 / 33 33--
415PF00106_DHB1_HUMAN29 100% 0.749 PF00106 C2_S161 - (55)13 12 / 16 / 13 9--
416PF00106_DHI1_HUMAN61 100% 0.477 PF00106 C1_S1141 - (84)8 63 / 30 / 8 13--
417PF00106_DHI1_MOUSE55 100% 0.467 PF00106 C4_S1129 - (74)20 55 / 26 / 15 16--
418PF00106_DHI1_RAT55 87% 0.513 PF00106 C2_S1130 - (78)20 55 / 21 / 20 17--
419PF00107_ADH7_HUMAN17 100% 0.732 PF00107 C1_S151 - (37)15 15 / - / 10 8--
420PF00107_ADH1A_HUMAN55 100% 0.752 PF00107 C1_S1121 - (75)20 35 / 2 / 32 10--
421PF00107_ADH1B_HUMAN53 100% 0.772 PF00107 C1_S1114 - (70)20 33 / 3 / 30 12--
422PF00112_LMCPB_LEIME14 60% 0.334 PF00112 C2_S117 - (0)15 - / 5 / 9 12--
423PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
424PF00112_CATF_HUMAN20 99% 0.340 PF00112 C3_S135 - (0)20 - / 7 / 13 13--
425PF00112_CATH_HUMAN22 93% 0.426 PF00112 C3_S134 - (0)13 - / - / 15 9--
426PF00112_CATH_RAT22 85% 0.514 PF00112 C2_S135 - (0)13 - / - / 16 10--
427PF00112_PEPT1_DERPT14 100% 0.465 PF00112 C1_S124 - (0)13 - / 1 / 12 9--
428PF00112_CYSP_TRYCR15 100% 0.397 PF00112 C1_S131 - (0)15 - / 3 / 12 6--
429PF00112_CATL1_BOVIN24 83% 0.466 PF00112 C4_S134 - (0)19 2 / 5 / 14 10--
430PF00112_CATL1_HUMAN24 100% 0.748 PF00112 C5_S134 - (0)19 2 / 7 / 12 10--
431PF00112_CATL1_MOUSE24 78% 0.438 PF00112 C4_S134 - (0)19 2 / 5 / 14 10--
432PF00112_CATL1_RAT24 79% 0.452 PF00112 C5_S134 - (0)19 2 / 5 / 14 10--
433PF00112_CATL2_HUMAN24 99% 0.546 PF00112 C5_S134 - (0)18 - / 6 / 14 10--
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_CATK_CANFA50 99% 0.535 PF00112 C3_S167 - (0)20 - / 10 / 38 32--
438PF00112_CATS_HUMAN54 100% 0.591 PF00112 C5_S177 - (0)20 5 / 14 / 34 22--
439PF00121_TPIS_TRYCR24 100% 0.851 PF00121 C6_S131 - (21)19 - / - / 25 9--
440PF00128_MALX3_YEAST21 100% 0.516 PF00128 C1_S146 - (0)14 - / - / 21 6--
441PF00135_ACES_ELEEL20 88% 0.443 PF00135 C1_S130 - (5)20 2 / 6 / 9 11--
442PF00135_ACES_TORMA45 97% 0.716 PF00135 C2_S187 - (1)20 8 / 11 / 13 16--
443PF00135_ACES_TORCA42 100% 0.717 PF00135 C1_S175 - (1)20 8 / 10 / 11 17--
444PF00144_AMPC_ENTCL9 100% 0.761 PF00144 C2_S124 - (0)10 - / - / 9 6--
445PF00144_BLAC_STAAU11 100% 0.827 PF00144 C1_S124 - (5)11 - / - / 11 9--
446PF00144_AMPC_PSEAE17 100% 0.514 PF00144 C1_S132 - (1)17 - / - / 14 13--
447PF00144_BLAC_BACLI30 100% 0.750 PF00144 C2_S142 - (5)20 - / 1 / 23 8--
448PF00144_BLAT_ECOLX21 100% 0.799 PF00144 C1_S134 - (4)20 - / - / 17 11--
449PF00144_BLC1_ECOLX53 98% 0.530 PF00144 C2_S172 - (24)20 - / 10 / 43 29--
450PF00144_AMPC_CITFR55 97% 0.704 PF00144 C2_S178 - (1)20 - / - / 43 23--

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