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)
350PF00273_ALBU_BOVIN41 99% 0.555 PF00273 C8_S183 - (0)20 - / 7 / 32 15--
351PF00536_EPHA5_HUMAN36 99% 0.172 PF00536 C3_S141 - (14)20 2 / 19 / 14 19--
352PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
353PF01425_FAAH1_HUMAN35 85% 0.469 PF01425 C7_S144 - (0)20 3 / 21 / 11 15--
354PF00105_PPARD_HUMAN33 100% 0.492 PF00105 C4_S145 - (0)20 12 / 20 / 1 17--
355PF00254_FKB1A_BOVIN49 100% 0.776 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
356PF03098_PGH1_HUMAN37 93% 0.458 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
357PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--
358PF00018_BLK_HUMAN30 74% 0.424 PF00018 C2_S139 - (4)20 9 / 18 / 4 23 49 0.04
359PF00089_PROC_HUMAN24 100% 0.273 PF00089 C1_S130 - (0)20 - / 10 / 14 19--
360PF00105_PPARG_MOUSE61 98% 0.442 PF00105 C5_S182 - (0)20 5 / 27 / 33 33--
361PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
362PF01712_DCK_MOUSE62 94% 0.711 PF01712 C1_S1151 - (116)20 7 / 52 / 57 23--
363PF00069_CDK1_MOUSE24 65% 0.521 PF00069 C1_S142 - (8)20 1 / 5 / 19 13--
364PF00186_DYR_STAAU50 100% 0.624 PF00186 C5_S1126 - (64)20 47 / 24 / 26 24--
365PF00194_CAH7_HUMAN24 100% 0.527 PF00194 C1_S137 - (3)20 - / - / 19 14--
366PF00105_GCR_HUMAN37 99% 0.197 PF00105 C3_S186 - (0)20 11 / 27 / 12 16--
367PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
368PF00303_TYSY_ENTFA49 100% 0.595 PF00303 C7_S162 - (48)20 - / 2 / 58 12--
369PF13419_HYES_RAT21 91% 0.558 PF13419 C1_S126 - (0)20 - / 13 / 8 16--
370PF00069_MK14_RAT31 99% 0.742 PF00069 C1_S143 - (5)20 5 / 15 / 9 19--
371PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
372PF08127_CATB_BOVIN26 100% 0.429 PF08127 C1_S142 - (0)20 - / - / 26 11--
373PF00069_MP2K1_MOUSE37 99% 0.470 PF00069 C1_S185 - (33)20 5 / 39 / 17 10--
374PF00069_DAPK1_HUMAN37 100% 0.113 PF00069 C2_S141 - (25)20 1 / 8 / 26 14 9 0.05
375PF00144_BLC1_ECOLX53 98% 0.530 PF00144 C2_S172 - (24)20 - / 10 / 43 29--
376PF00233_PDE5A_RAT34 96% 0.216 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
377PF01471_MMP12_RABIT54 77% 0.501 PF01471 C2_S1130 - (0)20 6 / 32 / 32 34--
378PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
379PF00433_KS6A2_HUMAN27 90% 0.246 PF00433 C1_S141 - (10)20 - / 24 / 4 11--
380PF00233_PDE10_HUMAN55 100% 0.199 PF00233 C3_S170 - (8)20 8 / 24 / 23 34--
381PF02244_CBPA1_HUMAN42 100% 0.569 PF02244 C3_S150 - (0)20 - / 5 / 31 19--
382PF00105_PPARA_RAT30 92% 0.494 PF00105 C2_S166 - (0)20 6 / 12 / 12 14--
383PF00069_KCC1G_HUMAN21 100% 0.325 PF00069 C1_S142 - (10)20 1 / 10 / 13 12 7 0.55
384PF01433_AMP1_PLAFQ19 99% 0.414 PF01433 C3_S154 - (0)20 - / - / 6 6--
385PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
386PF00018_FYN_HUMAN63 84% 0.497 PF00018 C3_S174 - (4)20 21 / 30 / 11 31 45 0.11
387PF00069_KC1E_HUMAN35 100% 0.536 PF00069 C1_S150 - (4)20 - / 30 / 6 16 42 0.09
388PF00194_CAH3_BOVIN22 85% 0.490 PF00194 C1_S137 - (3)20 - / - / 17 13--
389PF00069_AURKB_HUMAN63 99% 0.409 PF00069 C1_S187 - (13)20 7 / 40 / 17 39 23 0.39
390PF03331_LPXC_PSEA833 100% 0.525 PF03331 C1_S146 - (0)20 - / 30 / 7 15--
391PF00105_PRGR_PONPY35 100% 0.823 PF00105 C5_S168 - (0)20 6 / 31 / 4 19--
392PF00112_CATS_HUMAN54 100% 0.591 PF00112 C5_S177 - (0)20 5 / 14 / 34 22--
393PF00233_PDE5A_BOVIN34 98% 0.205 PF00233 C3_S156 - (5)20 1 / 28 / 9 17--
394PF00069_KC1A_RAT34 76% 0.482 PF00069 C1_S151 - (5)20 - / 32 / 6 14--
395PF02196_ARAF_HUMAN57 76% 0.223 PF02196 C2_S177 - (7)20 19 / 33 / 5 25--
396PF00089_KLKB1_HUMAN25 67% 0.340 PF00089 C2_S132 - (0)20 2 / 3 / 16 17--
397PF02146_SIR2_HUMAN28 100% 0.600 PF02146 C1_S169 - (22)20 14 / 13 / 8 9--
398PF00089_FA10_HUMAN41 100% 0.389 PF00089 C3_S149 - (0)20 6 / 29 / 4 31--
399PF01180_PYRD_MOUSE29 94% 0.518 PF01180 C2_S1113 - (67)20 30 / 25 / 30 24--
400PF00112_CATK_RABIT51 99% 0.514 PF00112 C4_S167 - (0)20 - / 3 / 40 29--

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