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)
400PF01180_PYRD_HUMAN29 100% 0.506 PF01180 C4_S1113 - (67)6 30 / 24 / 33 23--
401PF00433_AKT1_HUMAN29 100% 0.400 PF00433 C1_S162 - (8)20 4 / 40 / 10 21--
402PF07647_EPHA7_HUMAN29 100% 0.182 PF00536 C2_S130 - (10)20 - / 8 / 20 15--
403PF00433_AKT3_HUMAN29 86% 0.396 PF00433 C1_S162 - (8)20 3 / 40 / 9 21--
404PF00017_FPS_FUJSV29 79% 0.256 PF00018 C1_S141 - (6)20 6 / 15 / 11 17 1 -
405PF01180_PYRD_RAT29 100% 0.487 PF01180 C3_S1114 - (68)19 30 / 23 / 33 25--
406PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
407PF03331_LPXC_AQUAE29 99% 0.768 PF03331 C1_S149 - (0)20 1 / 6 / 27 16--
408PF00342_G6PI_RABIT29 100% 0.678 PF00342 C3_S134 - (33)19 - / - / 25 10--
409PF00105_MCR_HUMAN29 99% 0.146 PF00105 C5_S153 - (0)16 1 / 28 / 3 8--
410PF01180_PYRD_MOUSE29 94% 0.518 PF01180 C2_S1113 - (67)20 30 / 25 / 30 24--
411PF00074_RNAS1_BOVIN29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 21 0.59
412PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
413PF00787_SGK3_HUMAN28 73% 0.321 PF00433 C2_S160 - (8)20 1 / 35 / 9 21--
414PF07647_EPHA4_MOUSE28 100% 0.171 PF00536 C2_S128 - (10)20 1 / 14 / 11 15--
415PF00017_FER_HUMAN28 66% 0.255 PF00018 C2_S141 - (6)20 10 / 10 / 9 18 16 0.34
416PF07647_EPHA3_MOUSE28 96% 0.175 PF00536 C2_S129 - (9)20 1 / 16 / 10 17--
417PF00569_EP300_HUMAN28 99% 0.139 PF00569 C1_S139 - (0)20 - / 6 / 17 13--
418PF01030_INSR_HUMAN28 100% 0.163 PF01030 C2_S136 - (2)20 2 / 20 / 5 17--
419PF00656_CASP6_HUMAN28 100% 0.445 PF00656 C4_S140 - (0)9 - / 11 / 14 7--
420PF00061_FABP4_HUMAN28 100% 0.684 PF00061 C4_S140 - (0)20 1 / 9 / 18 22 32 0.64
421PF01030_INSR_RAT28 96% 0.170 PF01030 C2_S135 - (2)20 2 / 20 / 5 17--
422PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
423PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
424PF00343_PYGM_HUMAN28 97% 0.809 PF00343 C4_S152 - (10)20 - / 11 / 37 19--
425PF00061_FABP4_RAT28 93% 0.593 PF00061 C2_S137 - (0)20 - / 10 / 17 22 2 -
426PF07647_EPHA3_HUMAN28 99% 0.181 PF00536 C2_S129 - (9)20 1 / 16 / 10 17--
427PF00569_CBP_HUMAN28 100% 0.135 PF00569 C1_S141 - (0)20 - / 6 / 17 13--
428PF10613_GRIA4_HUMAN28 99% 0.402 PF10613 C1_S155 - (0)20 - / - / 15 15--
429PF00082_PRTK_ENGAL28 100% 0.591 PF00082 C2_S141 - (0)17 - / - / 20 8--
430PF10613_GRIA1_MOUSE28 98% 0.369 PF10613 C1_S140 - (0)20 - / - / 19 10--
431PF09160_FIMH_ECOLI28 100% 0.536 PF09160 C2_S128 - (0)20 - / 11 / 16 13--
432PF02146_SIR2_HUMAN28 100% 0.600 PF02146 C1_S169 - (22)20 14 / 13 / 8 9--
433PF00433_KS6A4_HUMAN27 71% 0.210 PF00433 C1_S137 - (8)19 1 / 19 / 8 10--
434PF01471_MMP8_RAT27 78% 0.524 PF01471 C1_S142 - (0)20 8 / 15 / 9 12--
435PF01327_DEF_HAEIN27 66% 0.605 PF01327 C3_S142 - (10)19 - / 12 / 13 9--
436PF00069_CDKL1_HUMAN27 98% 0.436 PF00069 C1_S152 - (7)20 - / 12 / 15 16 3 -0.69
437PF00017_JAK2_MOUSE27 96% 0.134 PF00017 C2_S133 - (6)20 3 / 22 / 3 19--
438PF01030_IGF1R_MOUSE27 97% 0.162 PF01030 C2_S135 - (2)20 2 / 19 / 4 16--
439PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
440PF00491_ARGI2_HUMAN27 100% 0.520 PF00491 C3_S131 - (20)16 - / - / 20 8--
441PF00962_ADA_BOVIN27 95% 0.777 PF00962 C5_S148 - (16)20 2 / 9 / 13 18--
442PF00962_ADA_MOUSE27 100% 0.823 PF00962 C6_S146 - (16)20 2 / 9 / 14 17--
443PF00183_HS90A_MOUSE27 100% 0.407 PF00183 C1_S128 - (0)20 1 / 17 / 10 24--
444PF00183_HS90A_HUMAN27 100% 0.406 PF00183 C1_S129 - (0)20 1 / 16 / 10 24--
445PF00962_ADA_HUMAN27 100% 0.770 PF00962 C6_S146 - (16)20 2 / 9 / 13 18--
446PF00433_KS6A5_HUMAN27 100% 0.212 PF00433 C1_S138 - (8)18 1 / 20 / 6 10--
447PF00433_KS6A2_HUMAN27 90% 0.246 PF00433 C1_S141 - (10)20 - / 24 / 4 11--
448PF00433_SGK2_HUMAN27 72% 0.375 PF00433 C1_S155 - (8)20 1 / 30 / 6 19--
449PF00018_BTK_HUMAN27 100% 0.393 PF00018 C2_S135 - (2)20 5 / 21 / 3 21 23 0.53
450PF07647_EPHA4_HUMAN27 99% 0.199 PF00536 C2_S127 - (9)20 1 / 14 / 10 15--

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