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)
200PF00908_RMLC_MYCTU15 100% 0.899 PF00908 C2_S145 - (0)13 - / - / 17 7--
201PF13419_HYES_HUMAN21 100% 0.566 PF13419 C1_S130 - (0)20 3 / 12 / 6 16--
202PF00069_KAPCA_BOVIN66 100% 0.761 PF00069 C1_S1144 - (9)20 17 / 54 / 48 38 1 -
203PF00515_FKBP5_HUMAN20 100% 0.304 PF00515 C1_S125 - (0)17 - / 17 / 2 11--
204PF01471_MMP12_HUMAN57 100% 0.543 PF01471 C3_S1123 - (0)20 7 / 27 / 29 36--
205PF00128_MALX3_YEAST21 100% 0.516 PF00128 C1_S146 - (0)14 - / - / 21 6--
206PF00121_TPIS_TRYCR24 100% 0.851 PF00121 C6_S131 - (21)19 - / - / 25 9--
207PF00069_AURKA_HUMAN54 100% 0.353 PF00069 C1_S175 - (10)20 5 / 42 / 6 37 168 -0.18
208PF00248_AK1CL_MOUSE46 100% 0.627 PF00248 C7_S1102 - (78)20 40 / 7 / 19 14--
209PF00248_AK1C2_HUMAN69 100% 0.824 PF00248 C6_S1154 - (106)20 65 / 9 / 35 28--
210PF00433_KS6A1_HUMAN26 100% 0.247 PF00433 C1_S140 - (9)20 - / 23 / 3 11--
211PF00072_AHK4_ARATH14 100% 0.141 PF00072 C3_S116 - (0)12 - / 2 / 12 6--
212PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
213PF00105_RORG_HUMAN20 100% 0.291 PF00105 C3_S159 - (0)18 4 / 18 / 6 10--
214PF00018_SRC_CHICK62 100% 0.662 PF00018 C3_S175 - (4)20 21 / 29 / 11 30 2 -
215PF00069_AAPK2_HUMAN12 100% 0.350 PF00069 C1_S123 - (4)12 1 / 10 / - 7 3 0.82
216PF00105_THB_RAT15 100% 0.322 PF00105 C2_S140 - (0)9 5 / 11 / - 6--
217PF00089_PROC_HUMAN24 100% 0.273 PF00089 C1_S130 - (0)20 - / 10 / 14 19--
218PF04095_NAMPT_HUMAN42 100% 0.537 PF04095 C1_S196 - (8)20 - / - / 15 8--
219PF02898_NOS3_HUMAN60 100% 0.250 PF02898 C1_S1212 - (12)20 60 / - / 69 22--
220PF00105_PPARA_HUMAN30 100% 0.496 PF00105 C5_S166 - (0)20 12 / 7 / 12 14--
221PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
222PF00017_ABL_MLVAB69 100% 0.437 PF00018 C2_S183 - (10)20 48 / 22 / 7 26--
223PF00089_CMA1_HUMAN19 100% 0.729 PF00089 C1_S129 - (0)15 1 / 4 / 12 11 20 0.22
224PF00628_BAZ2B_HUMAN11 100% 0.033 PF00643 C2_S122 - (0)11 - / 2 / 9 9--
225PF00069_MKNK2_HUMAN16 100% 0.307 PF00069 C1_S140 - (1)16 - / 4 / 5 8 12 0.08
226PF02146_SIR2_YEAST21 100% 0.415 PF02146 C2_S154 - (0)16 14 / 10 / 8 9--
227PF00012_HSP71_HUMAN53 100% 0.580 PF00012 C1_S169 - (0)12 11 / 36 / 5 7 9 0.60
228PF00850_HDAC7_HUMAN19 100% 0.220 PF00850 C4_S124 - (0)14 - / 6 / 12 8--
229PF00105_RARG_HUMAN24 100% 0.444 PF00105 C3_S168 - (0)17 16 / 9 / 6 12--
230PF00069_KCC4_HUMAN16 100% 0.277 PF00069 C1_S136 - (11)17 - / 7 / 13 11 5 -0.42
231PF00069_MAPK3_HUMAN18 100% 0.389 PF00069 C1_S134 - (6)19 - / 15 / 6 13--
232PF00753_BLAB_SERMA18 100% 0.737 PF00753 C1_S135 - (0)15 - / 6 / 10 8--
233PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
234PF00018_ITK_HUMAN45 100% 0.430 PF00018 C3_S157 - (3)20 5 / 26 / 14 27 67 -0.45
235PF00069_M3K14_HUMAN9 100% 0.195 PF00069 C1_S140 - (12)13 2 / 7 / 6 8--
236PF00619_BIRC3_HUMAN30 100% 0.259 PF00619 C3_S142 - (0)20 - / 26 / 5 10--
237PF00071_RAP1A_HUMAN31 100% 0.712 PF00071 C1_S145 - (43)12 15 / 17 / 2 6--
238PF02542_ISPF_ECOLC41 100% 0.812 PF02542 C12_S147 - (45)17 - / - / 24 9--
239PF00303_TYSY_MYCTU39 100% 0.642 PF00303 C8_S160 - (40)20 - / 3 / 38 9--
240PF00105_ANDR_HUMAN65 100% 0.208 PF00105 C2_S1122 - (0)20 3 / 67 / 22 22--
241PF01652_IF4E_RABIT23 100% 0.750 PF01652 C6_S129 - (0)13 - / 23 / - 9--
242PF02274_DDAH1_HUMAN14 100% 0.609 PF02274 C1_S118 - (14)15 - / - / 12 6--
243PF00413_MMP11_MOUSE14 100% 0.395 PF01471 C1_S136 - (0)12 2 / 8 / 6 7--
244PF00105_PPARG_CANFA61 100% 0.444 PF00105 C6_S183 - (0)20 5 / 27 / 33 33--
245PF00102_PTN2_HUMAN17 100% 0.351 PF00102 C1_S121 - (0)16 - / 13 / 4 14--
246PF00112_CATZ_HUMAN9 100% 0.576 PF00112 C3_S129 - (0)9 - / - / 7 6--
247PF01471_MMP3_HUMAN37 100% 0.513 PF01471 C3_S146 - (0)20 4 / 12 / 17 20--
248PF00186_DYR_CHICK65 100% 0.795 PF00186 C5_S1135 - (78)20 52 / 42 / 22 35--
249PF01030_ERBB4_HUMAN56 100% 0.269 PF01030 C3_S161 - (13)20 13 / 23 / 19 24--
250PF00106_DHI1_HUMAN61 100% 0.477 PF00106 C1_S1141 - (84)8 63 / 30 / 8 13--

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