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)
300PF07714_JAK1_HUMAN17 98% 0.122 PF07714 C1_S118 - (0)17 2 / 12 / 3 16--
301PF01425_FAAH1_MOUSE35 92% 0.521 PF01425 C6_S144 - (0)20 - / 22 / 14 16--
302PF00069_NEK2_HUMAN19 100% 0.312 PF00069 C1_S144 - (0)20 1 / 15 / 4 16 23 0.38
303PF00254_FKB1B_HUMAN47 100% 0.765 PF00254 C2_S154 - (0)20 1 / 35 / 5 16--
304PF00102_PTN1_RAT32 96% 0.552 PF00102 C3_S142 - (6)20 2 / 19 / 10 16--
305PF00433_KPCE_RAT22 70% 0.304 PF00433 C1_S150 - (12)20 - / 24 / 12 16--
306PF00105_RXRA_MOUSE33 100% 0.450 PF00105 C6_S149 - (0)20 16 / 13 / 4 16--
307PF05406_PARP3_HUMAN16 100% 0.402 PF05406 C1_S124 - (1)16 1 / 12 / 10 16--
308PF03331_LPXC_AQUAE29 99% 0.768 PF03331 C1_S149 - (0)20 1 / 6 / 27 16--
309PF00433_KPCE_MOUSE22 71% 0.288 PF00433 C1_S150 - (12)20 - / 24 / 12 16--
310PF01030_IGF1R_MOUSE27 97% 0.162 PF01030 C2_S135 - (2)20 2 / 19 / 4 16--
311PF00069_GSK3B_RAT35 99% 0.680 PF00069 C1_S160 - (13)20 1 / 17 / 17 16--
312PF00106_DHI1_MOUSE55 100% 0.467 PF00106 C4_S1129 - (74)20 55 / 26 / 15 16--
313PF00069_CDKL1_HUMAN27 98% 0.436 PF00069 C1_S152 - (7)20 - / 12 / 15 16 3 -0.69
314PF01425_FAAH1_RAT35 100% 0.497 PF01425 C3_S144 - (0)20 4 / 17 / 14 16--
315PF00557_MAP2_HUMAN16 100% 0.431 PF00557 C1_S124 - (0)16 - / 4 / 12 16--
316PF07686_VGFR1_MOUSE16 92% 0.123 PF07686 C2_S118 - (0)16 9 / 7 / - 16--
317PF07714_JAK3_HUMAN17 100% 0.134 PF00017 C1_S117 - (0)17 1 / 11 / 5 16--
318PF00348_FPPS_HUMAN38 100% 0.485 PF00348 C1_S154 - (8)20 - / 7 / 36 16--
319PF13419_HYES_RAT21 91% 0.558 PF13419 C1_S126 - (0)20 - / 13 / 8 16--
320PF07647_EPHA4_HUMAN27 99% 0.199 PF00536 C2_S127 - (9)20 1 / 14 / 10 15--
321PF03414_BGAT_HUMAN57 100% 0.448 PF03414 C1_S1112 - (87)20 - / 24 / 57 15--
322PF00433_KPCT_HUMAN23 100% 0.257 PF00433 C1_S152 - (10)20 - / 26 / 9 15--
323PF07714_FGFR4_MOUSE54 75% 0.210 PF07714 C1_S156 - (26)20 - / 21 / 32 15--
324PF00069_KC1D_BOVIN35 100% 0.568 PF00069 C1_S151 - (4)20 - / 31 / 6 15 27 -0.13
325PF00233_PDE2A_BOVIN15 99% 0.370 PF00233 C1_S128 - (3)20 - / - / 18 15--
326PF10613_GRIA4_HUMAN28 99% 0.402 PF10613 C1_S155 - (0)20 - / - / 15 15--
327PF00105_GCR_RAT37 95% 0.197 PF00105 C2_S186 - (0)20 11 / 28 / 14 15--
328PF00536_EPHB1_HUMAN32 100% 0.155 PF00536 C1_S139 - (14)20 1 / 17 / 15 15--
329PF03331_LPXC_PSEA833 100% 0.525 PF03331 C1_S146 - (0)20 - / 30 / 7 15--
330PF00273_ALBU_BOVIN41 99% 0.555 PF00273 C8_S183 - (0)20 - / 7 / 32 15--
331PF00026_BACE2_RAT21 94% 0.405 PF00026 C7_S137 - (0)20 3 / 3 / 12 15--
332PF07714_FAK2_HUMAN17 100% 0.309 PF07714 C1_S117 - (0)17 6 / 5 / 6 15--
333PF07714_RET_HUMAN17 100% 0.573 PF07714 C1_S121 - (4)16 - / 11 / 7 15--
334PF00254_FKB1A_HUMAN49 100% 0.748 PF00254 C3_S157 - (0)20 3 / 32 / 5 15--
335PF03098_PGH1_RAT37 87% 0.431 PF03098 C1_S174 - (4)20 - / 27 / 24 15--
336PF00069_KC1G3_HUMAN16 100% 0.330 PF00069 C1_S138 - (5)17 - / 10 / 11 15 13 -0.25
337PF00069_NEK1_HUMAN21 100% 0.161 PF00069 C1_S149 - (9)20 1 / 14 / 7 15 10 -0.03
338PF07647_EPHA4_MOUSE28 100% 0.171 PF00536 C2_S128 - (10)20 1 / 14 / 11 15--
339PF07714_FGFR3_MOUSE54 94% 0.206 PF07714 C2_S156 - (26)20 2 / 20 / 30 15--
340PF02180_B2CL1_HUMAN42 100% 0.460 PF02180 C1_S179 - (0)20 23 / 11 / 12 15--
341PF07686_UFO_HUMAN17 69% 0.153 PF01833 C1_S118 - (1)18 9 / 5 / 3 15--
342PF00068_PA21B_PIG50 100% 0.399 PF00068 C6_S196 - (0)20 - / 10 / 28 15--
343PF01712_DGUOK_HUMAN21 100% 0.388 PF01712 C4_S167 - (54)15 3 / 18 / 21 15--
344PF07714_FAK1_HUMAN31 100% 0.308 PF07714 C1_S132 - (3)20 4 / 15 / 10 15--
345PF00603_PA_I34A140 97% 0.151 PF00603 C10_S152 - (0)20 - / - / 35 15--
346PF00069_CDPK1_PLAF718 93% 0.485 PF00069 C1_S124 - (6)16 - / 11 / 10 15 20 -0.02
347PF00017_ZAP70_MOUSE23 97% 0.560 PF00017 C1_S136 - (11)17 6 / 11 / 6 15--
348PF00026_PENP_PENJA29 100% 0.820 PF00026 C5_S146 - (0)19 6 / 19 / 5 15 7 -0.76
349PF00069_CDKL3_HUMAN20 99% 0.285 PF00069 C1_S139 - (9)20 - / 11 / 12 15 4 -0.08
350PF00433_KPCD_HUMAN23 72% 0.279 PF00433 C2_S150 - (12)20 - / 22 / 11 15--

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