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)
250PF00105_RXRG_MOUSE32 95% 0.361 PF00105 C3_S141 - (0)20 14 / 14 / 4 14--
251PF00433_KS6A2_HUMAN27 90% 0.246 PF00433 C1_S141 - (10)20 - / 24 / 4 11--
252PF00194_CAH12_HUMAN31 100% 0.557 PF00194 C1_S161 - (16)20 - / - / 25 10--
253PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
254PF00105_VDR_HUMAN50 99% 0.428 PF00105 C5_S168 - (0)20 48 / 2 / - 42--
255PF01327_DEF_PSEAE29 100% 0.728 PF01327 C2_S142 - (4)20 - / 10 / 16 9--
256PF00248_ALDR_RAT69 85% 0.874 PF00248 C7_S1144 - (76)20 75 / 26 / 10 28--
257PF00069_KC1D_RAT35 100% 0.560 PF00069 C1_S151 - (4)20 - / 30 / 6 15--
258PF00433_KPCL_HUMAN23 100% 0.290 PF00433 C1_S151 - (12)20 - / 25 / 12 16--
259PF00273_ALBU_RAT38 75% 0.573 PF00273 C6_S168 - (0)20 - / 10 / 15 11--
260PF07714_FGFR4_HUMAN54 76% 0.208 PF07714 C1_S156 - (26)20 - / 21 / 32 15--
261PF00092_ITAL_MOUSE23 73% 0.326 PF00092 C4_S126 - (0)20 1 / 16 / 6 10--
262PF00536_EPHB4_HUMAN33 100% 0.179 PF00536 C1_S140 - (13)20 1 / 19 / 13 17--
263PF00069_CDPK4_PLAF728 77% 0.479 PF00069 C1_S141 - (9)20 1 / 17 / 12 18--
264PF01471_MMP13_RAT56 97% 0.460 PF01471 C3_S190 - (0)20 20 / 31 / 6 18--
265PF00069_GSK3B_MOUSE35 100% 0.676 PF00069 C1_S160 - (13)20 1 / 17 / 16 16 1 -
266PF00018_TXK_HUMAN34 66% 0.351 PF00018 C1_S140 - (4)20 6 / 22 / 7 26 28 0.19
267PF00536_EPHA5_HUMAN36 99% 0.172 PF00536 C3_S141 - (14)20 2 / 19 / 14 19--
268PF00089_THRB_HUMAN45 100% 0.378 PF00089 C5_S184 - (0)20 15 / 40 / 12 17--
269PF00018_HCK_HUMAN59 100% 0.664 PF00018 C4_S171 - (4)20 25 / 29 / 5 18 49 0.21
270PF00069_MK01_MOUSE49 100% 0.778 PF00069 C1_S185 - (14)20 3 / 25 / 26 29--
271PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
272PF01536_DCAM_HUMAN44 100% 0.548 PF01536 C3_S160 - (24)20 - / - / 37 12--
273PF01471_MMP13_BOVIN57 96% 0.446 PF01471 C3_S191 - (0)20 29 / 24 / 5 21--
274PF00215_PYRF_YEAST22 100% 0.787 PF00215 C2_S152 - (46)20 - / 5 / 22 11--
275PF01433_LKHA4_HUMAN43 100% 0.786 PF01433 C5_S176 - (0)20 1 / 27 / 20 20--
276PF00105_RXRG_RAT33 95% 0.359 PF00105 C4_S149 - (0)20 13 / 16 / 4 14--
277PF01471_MMP8_HUMAN27 100% 0.561 PF01471 C1_S142 - (0)20 7 / 15 / 8 12--
278PF01833_MET_HUMAN44 100% 0.122 PF01833 C2_S156 - (0)20 30 / 12 / 2 33--
279PF00017_FPS_FUJSV29 79% 0.256 PF00018 C1_S141 - (6)20 6 / 15 / 11 17 1 -
280PF00069_MK13_HUMAN24 100% 0.538 PF00069 C1_S136 - (6)20 2 / 16 / 6 20 5 -0.20
281PF00026_RENI_MACFA48 99% 0.444 PF00026 C6_S177 - (0)20 19 / 28 / 8 28--
282PF00017_ABL_MLVAB69 100% 0.437 PF00018 C2_S183 - (10)20 48 / 22 / 7 26--
283PF00105_ANDR_RAT65 100% 0.211 PF00105 C2_S1122 - (0)20 3 / 67 / 20 22--
284PF13733_B4GT1_BOVIN58 100% 0.597 PF13733 C1_S1139 - (88)20 - / 23 / 69 12--
285PF00194_CAH5A_HUMAN25 77% 0.389 PF00194 C2_S140 - (5)20 - / - / 22 13--
286PF02868_THER_BACTH57 100% 0.473 PF02868 C1_S1140 - (0)20 - / 13 / 50 25--
287PF07714_VGFR2_DANRE31 74% 0.133 PF07686 C2_S133 - (0)20 22 / 9 / - 24--
288PF00343_PYGB_HUMAN44 85% 0.793 PF00343 C11_S185 - (27)20 - / 14 / 65 27--
289PF01425_FAAH1_HUMAN35 85% 0.469 PF01425 C7_S144 - (0)20 3 / 21 / 11 15--
290PF00962_ADA_BOVIN27 95% 0.777 PF00962 C5_S148 - (16)20 2 / 9 / 13 18--
291PF01425_FAAH1_MOUSE35 92% 0.521 PF01425 C6_S144 - (0)20 - / 22 / 14 16--
292PF00018_SRC_MOUSE62 100% 0.550 PF00018 C2_S174 - (4)20 19 / 35 / 9 30--
293PF10613_GRIK1_HUMAN47 97% 0.326 PF10613 C1_S166 - (0)20 - / - / 40 10--
294PF00089_KLKB1_HUMAN25 67% 0.340 PF00089 C2_S132 - (0)20 2 / 3 / 16 17--
295PF00089_FA11_HUMAN31 100% 0.391 PF00089 C4_S140 - (0)20 3 / 5 / 21 23--
296PF00105_PRGR_RAT35 96% 0.229 PF00105 C4_S169 - (0)20 6 / 31 / 4 19--
297PF00233_PDE10_MOUSE55 96% 0.191 PF00233 C3_S170 - (8)20 9 / 27 / 19 37--
298PF02267_CD38_HUMAN48 99% 0.501 PF02267 C9_S163 - (42)20 3 / 26 / 19 22--
299PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
300PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--

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