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)
300PF00704_CHIA_MOUSE19 84% 0.403 PF00704 C1_S160 - (23)20 - / 5 / 19 10--
301PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
302PF00856_EHMT1_HUMAN33 100% 0.105 PF00856 C2_S160 - (32)17 6 / 46 / 4 7--
303PF00433_SGK1_HUMAN30 99% 0.368 PF00433 C1_S159 - (9)20 3 / 35 / 6 20--
304PF02375_KDM4E_HUMAN24 100% 0.539 PF02375 C3_S159 - (0)15 1 / 6 / 23 10--
305PF00105_NR1H2_HUMAN32 100% 0.536 PF00105 C6_S159 - (0)20 16 / 10 / 7 12--
306PF07647_TNKS1_MOUSE49 100% 0.519 PF07647 C1_S159 - (0)20 29 / 14 / 12 20--
307PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
308PF07647_TNKS1_HUMAN49 100% 0.072 PF07647 C2_S159 - (0)20 30 / 13 / 10 21--
309PF00089_TRYP_PIG41 100% 0.840 PF00089 C1_S159 - (0)20 2 / 4 / 28 15--
310PF01048_MTNN_KLEP333 97% 0.689 PF01048 C2_S159 - (31)20 - / 18 / 14 10--
311PF00069_AURKB_MOUSE36 91% 0.399 PF00069 C1_S159 - (11)20 4 / 24 / 9 25--
312PF00069_GSK3A_HUMAN33 86% 0.589 PF00069 C1_S158 - (14)20 1 / 16 / 16 17 21 -0.19
313PF00105_NR1H4_MOUSE35 98% 0.327 PF00105 C3_S158 - (0)20 30 / 3 / - 14--
314PF01833_MET_CANFA44 99% 0.126 PF01833 C1_S158 - (0)20 30 / 12 / 2 27--
315PF00232_GBA3_HUMAN24 100% 0.559 PF00232 C2_S158 - (32)20 - / 3 / 22 13--
316PF00105_NR1H4_HUMAN35 100% 0.338 PF00105 C4_S158 - (0)20 30 / 3 / - 17--
317PF00254_FKB1A_BOVIN49 100% 0.776 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
318PF00433_PKN2_HUMAN23 61% 0.202 PF00433 C1_S157 - (9)20 - / 29 / 10 18--
319PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
320PF01833_MET_MOUSE44 98% 0.123 PF01833 C1_S157 - (0)20 30 / 12 / 2 31--
321PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
322PF07714_FGFR3_HUMAN54 98% 0.220 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
323PF00069_PAK4_HUMAN25 100% 0.390 PF00069 C1_S156 - (15)17 3 / 11 / 18 11 28 0.48
324PF00089_FA10_BOVIN50 100% 0.313 PF00089 C4_S156 - (0)20 2 / 42 / 4 37 129 0.05
325PF00186_DYR_LACCA7 100% 0.645 PF00186 C2_S156 - (33)10 6 / - / 3 6--
326PF00233_PDE5A_HUMAN34 100% 0.211 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
327PF00089_TRY2_RAT41 100% 0.874 PF00089 C1_S156 - (0)20 - / 5 / 27 9--
328PF00105_VDR_CHICK29 96% 0.393 PF00105 C1_S156 - (0)20 23 / 1 / 5 22--
329PF07714_FGFR4_HUMAN54 76% 0.208 PF07714 C1_S156 - (26)20 - / 21 / 32 15--
330PF01833_MET_HUMAN44 100% 0.122 PF01833 C2_S156 - (0)20 30 / 12 / 2 33--
331PF07714_FGFR4_MOUSE54 75% 0.210 PF07714 C1_S156 - (26)20 - / 21 / 32 15--
332PF00233_PDE5A_RAT34 96% 0.216 PF00233 C3_S156 - (5)20 1 / 28 / 9 18--
333PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
334PF01562_ADA17_RAT41 95% 0.172 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
335PF01562_ADA17_HUMAN41 99% 0.165 PF01562 C4_S156 - (0)20 7 / 25 / 9 17--
336PF00275_AROA_ECO5519 100% 0.814 PF00275 C2_S156 - (27)14 3 / 9 / 16 8--
337PF00233_PDE5A_BOVIN34 98% 0.205 PF00233 C3_S156 - (5)20 1 / 28 / 9 17--
338PF07714_FGFR3_MOUSE54 94% 0.206 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
339PF00069_PAK7_HUMAN24 98% 0.239 PF00069 C1_S155 - (15)18 2 / 14 / 13 11 11 0.35
340PF00089_TRY1_RAT41 89% 0.533 PF00089 C1_S155 - (0)20 - / 5 / 28 10--
341PF00433_SGK2_HUMAN27 72% 0.375 PF00433 C1_S155 - (8)20 1 / 30 / 6 19--
342PF00069_MP2K3_HUMAN18 84% 0.474 PF00069 C1_S155 - (23)20 3 / 21 / 8 7 11 -0.27
343PF00194_CAH1_HUMAN35 100% 0.838 PF00194 C2_S155 - (3)20 - / - / 26 13--
344PF00693_KITH_VZVD13 99% 0.482 PF00693 C2_S155 - (42)10 1 / 4 / 13 8--
345PF00303_DRTS_PLAFK25 100% 0.592 PF00303 C6_S155 - (29)13 24 / 11 / 14 9--
346PF00433_KPCT_MOUSE24 96% 0.275 PF00433 C2_S155 - (11)20 - / 26 / 11 16--
347PF10613_GRIA4_HUMAN28 99% 0.402 PF10613 C1_S155 - (0)20 - / - / 15 15--
348PF01048_PNPH_BOVIN39 100% 0.798 PF01048 C6_S154 - (30)20 - / 7 / 34 19--
349PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
350PF00156_HGXR_PLAFG23 100% 0.845 PF00156 C3_S154 - (32)20 - / 13 / 22 11--

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