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)
200PF00017_KSYK_RAT35 97% 0.456 PF07714 C2_S148 - (10)20 6 / 23 / 8 27--
201PF00017_ZAP70_MOUSE23 97% 0.560 PF00017 C1_S136 - (11)17 6 / 11 / 6 15--
202PF00018_ABL1_MOUSE69 100% 0.320 PF00018 C3_S184 - (11)20 48 / 22 / 7 26--
203PF00018_BLK_MOUSE29 75% 0.466 PF00018 C2_S140 - (4)20 8 / 18 / 5 22--
204PF00018_CSK_RAT24 100% 0.563 PF00018 C1_S138 - (6)20 8 / 12 / 7 18--
205PF00018_FGR_MOUSE65 79% 0.477 PF00018 C4_S174 - (4)20 20 / 32 / 12 33--
206PF00018_GRB2_MOUSE57 100% 0.544 PF00018 C4_S176 - (0)19 5 / 49 / 5 9--
207PF00018_LYN_MOUSE62 99% 0.468 PF00018 C3_S172 - (3)20 26 / 30 / 6 19--
208PF00018_LYN_RAT61 98% 0.457 PF00018 C2_S171 - (3)20 26 / 30 / 5 19--
209PF00018_SRC_CHICK62 100% 0.662 PF00018 C3_S175 - (4)20 21 / 29 / 11 30 2 -
210PF00018_SRC_MOUSE62 100% 0.550 PF00018 C2_S174 - (4)20 19 / 35 / 9 30--
211PF00018_SRC_RSVSA45 100% 0.695 PF00018 C1_S156 - (4)20 18 / 22 / 6 27--
212PF00026_BACE1_MOUSE47 98% 0.613 PF00026 C6_S166 - (0)20 17 / 16 / 13 26--
213PF00026_BACE2_RAT21 94% 0.405 PF00026 C7_S137 - (0)20 3 / 3 / 12 15--
214PF00026_CARP_CRYPA47 100% 0.667 PF00026 C5_S1116 - (0)20 14 / 15 / 35 27 1 -
215PF00026_CARP_YEAST11 100% 0.631 PF00026 C2_S144 - (0)10 4 / 1 / 14 7 1 -
216PF00026_RENI1_MOUSE45 95% 0.421 PF00026 C7_S176 - (0)20 17 / 25 / 2 21--
217PF00026_RENI_MACFA48 99% 0.444 PF00026 C6_S177 - (0)20 19 / 28 / 8 28--
218PF00026_RENI_MACMU48 99% 0.444 PF00026 C6_S180 - (0)20 19 / 28 / 8 28--
219PF00026_RENI_RAT13 82% 0.432 PF00026 C3_S135 - (0)10 11 / 3 / 3 8--
220PF00042_MYG_HUMAN61 98% 0.664 PF00042 C3_S1112 - (1)14 60 / - / 13 6--
221PF00054_SHBG_RAT9 75% 0.380 PF00054 C3_S113 - (0)7 - / 11 / - 6--
222PF00059_CLC4K_HUMAN55 100% 0.236 PF00059 C2_S160 - (0)14 - / - / 44 7--
223PF00061_FABP4_RAT28 93% 0.593 PF00061 C2_S137 - (0)20 - / 10 / 17 22 2 -
224PF00061_RABP1_CHICK31 95% 0.611 PF00061 C10_S143 - (0)20 - / 11 / 18 12--
225PF00064_NRAM_INBMF24 98% 0.653 PF00064 C3_S126 - (9)20 - / 2 / 21 18--
226PF00064_NRAM_INBVI23 98% 0.649 PF00064 C5_S123 - (9)20 - / 2 / 20 17--
227PF00067_CP2B1_RAT18 78% 0.796 PF00067 C6_S175 - (3)11 19 / - / 15 9 1 -
228PF00067_CP2B4_RABIT18 99% 0.832 PF00067 C7_S175 - (3)9 18 / 1 / 14 10--
229PF00067_CP2B6_HUMAN18 98% 0.621 PF00067 C7_S178 - (3)12 18 / 1 / 16 9 1 -
230PF00067_CP2CB_RAT20 75% 0.443 PF00067 C3_S170 - (13)10 21 / 2 / 13 13--
231PF00067_CP2CI_HUMAN23 81% 0.520 PF00067 C6_S177 - (13)10 23 / 3 / 9 12--
232PF00067_CP2E1_RAT17 79% 0.538 PF00067 C7_S161 - (11)8 16 / 1 / 10 11--
233PF00067_CP343_HUMAN14 76% 0.546 PF00067 C2_S179 - (8)16 14 / 2 / 13 10--
234PF00067_CP3A1_RAT16 74% 0.522 PF00067 C4_S178 - (8)19 14 / 9 / 11 10--
235PF00067_CP3A2_RAT14 73% 0.535 PF00067 C1_S177 - (8)17 14 / 8 / 10 8--
236PF00067_CP3A5_HUMAN15 84% 0.563 PF00067 C2_S174 - (8)17 14 / 4 / 12 8 1 -
237PF00067_CP3A6_RABIT14 76% 0.558 PF00067 C2_S179 - (10)15 14 / 9 / 6 8--
238PF00067_CP51A_RAT16 94% 0.511 PF00067 C4_S171 - (2)7 13 / 7 / 6 10--
239PF00067_CP51_MYCTU13 100% 0.796 PF00067 C1_S163 - (5)7 9 / 2 / 8 8--
240PF00068_PA21B_HUMAN50 100% 0.487 PF00068 C7_S196 - (0)20 - / 10 / 31 16 1 -
241PF00068_PA21B_MOUSE48 81% 0.426 PF00068 C9_S193 - (0)20 - / 8 / 31 15--
242PF00068_PA21B_PIG50 100% 0.399 PF00068 C6_S196 - (0)20 - / 10 / 28 15--
243PF00068_PA21B_RAT48 80% 0.451 PF00068 C8_S194 - (0)20 - / 8 / 30 14--
244PF00068_PA2A1_NAJMO24 78% 0.443 PF00068 C4_S136 - (6)19 - / 3 / 14 6--
245PF00068_PA2A2_NAJNA33 96% 0.511 PF00068 C8_S146 - (12)20 - / 3 / 19 6--
246PF00068_PA2GA_HUMAN33 100% 0.509 PF00068 C6_S146 - (0)20 14 / 7 / 8 12--
247PF00068_PA2GA_MOUSE19 68% 0.423 PF00068 C4_S130 - (0)18 2 / 7 / 4 10--
248PF00068_PA2GA_RAT34 72% 0.386 PF00068 C8_S146 - (0)20 12 / 8 / 9 11--
249PF00068_PA2GX_HUMAN16 100% 0.317 PF00068 C6_S132 - (0)13 - / 5 / 11 9--
250PF00069_AAPK1_RAT14 99% 0.339 PF00069 C1_S125 - (3)14 1 / 11 / 2 9--

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