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)
350PF00017_JAK2_HUMAN29 99% 0.135 PF00017 C2_S136 - (5)20 3 / 23 / 4 21 294 0.18
351PF00069_CSK21_RAT49 100% 0.665 PF00069 C1_S185 - (14)20 3 / 22 / 20 22 25 0.03
352PF00069_CSK21_HUMAN49 100% 0.667 PF00069 C1_S184 - (14)20 3 / 22 / 19 22 84 0.34
353PF00017_JAK2_MOUSE27 96% 0.134 PF00017 C2_S133 - (6)20 3 / 22 / 3 19--
354PF01425_FAAH1_HUMAN35 85% 0.469 PF01425 C7_S144 - (0)20 3 / 21 / 11 15--
355PF00069_MP2K3_HUMAN18 84% 0.474 PF00069 C1_S155 - (23)20 3 / 21 / 8 7 11 -0.27
356PF00069_AUKBA_XENLA30 100% 0.385 PF00069 C1_S153 - (11)20 3 / 20 / 8 20--
357PF00494_CRTM_STAAU28 100% 0.547 PF00494 C6_S145 - (4)20 3 / 19 / 13 19--
358PF01712_DGUOK_HUMAN21 100% 0.388 PF01712 C4_S167 - (54)15 3 / 18 / 21 15--
359PF00069_MK12_HUMAN24 67% 0.549 PF00069 C1_S137 - (6)20 3 / 16 / 5 19 9 -0.19
360PF00294_ADK_RAT20 91% 0.673 PF00294 C1_S152 - (40)17 3 / 15 / 9 8--
361PF00183_HS90B_HUMAN24 100% 0.365 PF00183 C2_S126 - (0)20 3 / 15 / 7 18--
362PF00069_PAK6_HUMAN24 100% 0.229 PF00069 C1_S167 - (17)18 3 / 14 / 13 10 8 0.51
363PF00069_MP2K7_HUMAN16 98% 0.353 PF00069 C1_S146 - (22)20 3 / 14 / 10 6--
364PF13419_HYES_HUMAN21 100% 0.566 PF13419 C1_S130 - (0)20 3 / 12 / 6 16--
365PF00069_PAK4_HUMAN25 100% 0.390 PF00069 C1_S156 - (15)17 3 / 11 / 18 11 28 0.48
366PF00069_IRAK4_HUMAN13 100% 0.304 PF00069 C2_S133 - (10)18 3 / 11 / 10 11 20 0.26
367PF00440_ETHR_MYCS216 63% 0.570 PF00440 C1_S135 - (0)18 3 / 11 / 1 14--
368PF00413_MMP11_HUMAN17 94% 0.377 PF01471 C2_S143 - (0)15 3 / 10 / 7 9--
369PF01471_MMP24_HUMAN13 85% 0.354 PF01471 C1_S122 - (0)12 3 / 10 / 3 7--
370PF00275_AROA_ECO5519 100% 0.814 PF00275 C2_S156 - (27)14 3 / 9 / 16 8--
371PF00069_MARK1_HUMAN14 100% 0.217 PF00069 C1_S128 - (6)12 3 / 9 / 2 9 12 0.37
372PF00069_MARK2_HUMAN14 100% 0.213 PF00069 C1_S130 - (7)12 3 / 9 / 2 9 11 0.12
373PF07714_DDR2_HUMAN13 67% 0.202 PF07714 C2_S113 - (0)13 3 / 8 / 2 13--
374PF00069_CDK19_HUMAN23 91% 0.369 PF00069 C1_S154 - (8)20 3 / 7 / 14 14 16 0.23
375PF00627_MARK4_HUMAN14 86% 0.222 PF00069 C1_S130 - (6)12 3 / 7 / 4 9--
376PF00069_MARK3_HUMAN12 99% 0.225 PF00069 C1_S129 - (7)10 3 / 7 / 2 7 3 0.67
377PF00026_BACE2_HUMAN19 100% 0.404 PF00026 C7_S136 - (0)19 3 / 6 / 8 13 17 0.66
378PF00089_FA11_HUMAN31 100% 0.391 PF00089 C4_S140 - (0)20 3 / 5 / 21 23--
379PF00704_CHIA_SERMA16 100% 0.796 PF00704 C1_S154 - (20)19 3 / 4 / 12 6--
380PF00069_WEE1_HUMAN8 100% 0.225 PF00069 C1_S136 - (9)14 3 / 4 / 6 10 18 0.09
381PF00026_BACE2_RAT21 94% 0.405 PF00026 C7_S137 - (0)20 3 / 3 / 12 15--
382PF00089_TRY1_BOVIN55 100% 0.815 PF00089 C1_S195 - (0)20 3 / 2 / 43 18--
383PF00089_CELA1_PIG53 100% 0.761 PF00089 C2_S1104 - (0)20 3 / - / 41 12 13 0.88
384PF00433_AKT2_HUMAN39 100% 0.399 PF00433 C1_S177 - (10)20 2 / 49 / 11 25--
385PF00089_FA10_BOVIN50 100% 0.313 PF00089 C4_S156 - (0)20 2 / 42 / 4 37 129 0.05
386PF00089_FA10_RAT46 86% 0.307 PF00089 C4_S154 - (0)20 2 / 38 / 4 34--
387PF00089_FA10_RABIT44 84% 0.295 PF00089 C3_S152 - (0)20 2 / 36 / 4 30--
388PF00069_CSK22_HUMAN51 100% 0.682 PF00069 C1_S188 - (16)20 2 / 25 / 20 25 43 -0.15
389PF00069_MK03_HUMAN46 88% 0.693 PF00069 C1_S182 - (15)20 2 / 23 / 25 28 5 -0.04
390PF07714_FGFR3_MOUSE54 94% 0.206 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
391PF07714_FGFR3_HUMAN54 98% 0.220 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
392PF00105_ERR3_HUMAN32 100% 0.314 PF00105 C5_S162 - (0)13 2 / 20 / 12 7--
393PF00102_PTN1_HUMAN32 100% 0.544 PF00102 C3_S142 - (6)20 2 / 20 / 9 15--
394PF01030_INSR_RAT28 96% 0.170 PF01030 C2_S135 - (2)20 2 / 20 / 5 17--
395PF01030_INSR_HUMAN28 100% 0.163 PF01030 C2_S136 - (2)20 2 / 20 / 5 17--
396PF00348_GGPPS_YEAST44 100% 0.422 PF00348 C1_S166 - (26)20 2 / 19 / 26 19--
397PF00536_EPHA5_HUMAN36 99% 0.172 PF00536 C3_S141 - (14)20 2 / 19 / 14 19--
398PF00102_PTN1_RAT32 96% 0.552 PF00102 C3_S142 - (6)20 2 / 19 / 10 16--
399PF01030_IGF1R_MOUSE27 97% 0.162 PF01030 C2_S135 - (2)20 2 / 19 / 4 16--
400PF01030_IGF1R_RAT27 97% 0.173 PF01030 C2_S135 - (2)20 2 / 19 / 4 16--

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