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)
250PF00069_PAK6_HUMAN24 100% 0.229 PF00069 C1_S167 - (17)18 3 / 14 / 13 10 8 0.51
251PF00069_PAK7_HUMAN24 98% 0.239 PF00069 C1_S155 - (15)18 2 / 14 / 13 11 11 0.35
252PF00069_PDPK1_HUMAN31 100% 0.269 PF00069 C2_S162 - (10)20 4 / 20 / 6 25 37 0.68
253PF00069_PHKG1_HUMAN16 95% 0.543 PF00069 C1_S139 - (16)15 - / 6 / 12 9 11 0.16
254PF00069_PHKG2_HUMAN15 100% 0.362 PF00069 C1_S137 - (13)14 - / 5 / 13 9 15 -0.32
255PF00069_PHO85_YEAST20 100% 0.593 PF00069 C1_S127 - (9)20 - / 7 / 11 13--
256PF00069_PIM1_HUMAN49 100% 0.392 PF00069 C1_S1102 - (10)20 - / 27 / 38 41 178 -0.11
257PF00069_PIM2_HUMAN22 100% 0.443 PF00069 C1_S150 - (5)20 - / 14 / 16 18 104 -0.01
258PF00069_PIM3_HUMAN42 75% 0.426 PF00069 C1_S185 - (14)20 - / 13 / 36 29 36 -0.71
259PF00069_PIM3_RAT40 75% 0.436 PF00069 C1_S180 - (9)20 - / 23 / 27 33--
260PF00069_PMYT1_HUMAN7 100% 0.313 PF00069 C1_S128 - (7)11 - / 5 / 4 8 2 1.00
261PF00069_SRPK1_HUMAN7 100% 0.314 PF00069 C1_S127 - (6)10 - / 5 / 6 6 6 -0.22
262PF00069_ST17A_HUMAN18 60% 0.281 PF00069 C1_S131 - (13)18 - / 6 / 11 11 9 -0.20
263PF00069_ST17B_HUMAN15 100% 0.398 PF00069 C1_S131 - (12)15 - / 4 / 10 7 9 0.11
264PF00069_ST32A_HUMAN14 100% 0.469 PF00433 C1_S144 - (10)15 - / 11 / 4 10 6 -0.44
265PF00069_ST32B_HUMAN13 71% 0.439 PF00069 C1_S154 - (11)14 - / 10 / 6 8 5 -0.03
266PF00069_ST32C_HUMAN20 65% 0.393 PF00433 C1_S151 - (10)20 - / 14 / 9 15 3 0.36
267PF00069_STK11_HUMAN6 99% 0.303 PF00069 C1_S131 - (7)11 - / 10 / 1 9 9 0.40
268PF00069_STK24_HUMAN19 98% 0.332 PF00069 C1_S140 - (11)20 2 / 10 / 7 14 11 0.40
269PF00069_STK25_HUMAN19 99% 0.349 PF00069 C1_S143 - (12)20 2 / 9 / 9 11 8 0.80
270PF00069_STK39_HUMAN17 87% 0.280 PF00069 C1_S130 - (12)13 - / 3 / 12 10 6 0.58
271PF00069_STK3_HUMAN20 99% 0.334 PF00069 C1_S137 - (11)20 2 / 12 / 6 14 25 0.24
272PF00069_STK3_MOUSE20 98% 0.334 PF00069 C2_S138 - (11)20 2 / 12 / 7 14 5 0.57
273PF00069_STK4_HUMAN20 100% 0.333 PF00069 C1_S141 - (11)20 2 / 13 / 6 15 22 0.19
274PF00069_TAOK1_HUMAN18 89% 0.181 PF00069 C1_S136 - (11)18 2 / 9 / 9 12 13 0.60
275PF00069_TAOK2_HUMAN15 99% 0.139 PF00069 C1_S122 - (6)14 1 / 6 / 7 9 4 0.35
276PF00069_TAOK3_HUMAN18 82% 0.192 PF00069 C1_S128 - (9)16 1 / 7 / 8 9 10 0.46
277PF00069_TBK1_MOUSE14 100% 0.432 PF00069 C1_S139 - (8)12 2 / 9 / 3 7--
278PF00069_TGFR2_HUMAN14 47% 0.247 PF08515 C1_S127 - (0)14 1 / 11 / 3 11 11 0.14
279PF00069_TNIK_HUMAN13 100% 0.115 PF00069 C1_S118 - (0)12 - / 4 / 7 9 18 -0.02
280PF00069_TTK_HUMAN7 100% 0.178 PF00069 C1_S135 - (10)10 1 / 4 / 7 7 15 -0.13
281PF00069_VRK2_HUMAN7 99% 0.387 PF00069 C1_S132 - (4)7 - / 7 / 2 6--
282PF00069_WEE1_HUMAN8 100% 0.225 PF00069 C1_S136 - (9)14 3 / 4 / 6 10 18 0.09
283PF00069_WEE2_HUMAN9 63% 0.215 PF00069 C1_S133 - (11)10 1 / 3 / 5 6 4 0.87
284PF00069_WNK1_HUMAN11 96% 0.056 PF02196 C1_S121 - (3)12 1 / 9 / 1 10--
285PF00069_WNK2_HUMAN7 82% 0.058 PF02196 C1_S123 - (3)7 1 / 5 / - 6--
286PF00071_CDC42_CHICK61 100% 0.509 PF00071 C3_S173 - (68)14 3 / 48 / 8 6 51 0.30
287PF00071_CDC42_HUMAN60 100% 0.833 PF00071 C1_S175 - (70)13 17 / 39 / 2 6--
288PF00071_RAP1A_HUMAN31 100% 0.712 PF00071 C1_S145 - (43)12 15 / 17 / 2 6--
289PF00071_RASH_HUMAN67 100% 0.713 PF00071 C1_S188 - (4)11 40 / 25 / 3 7--
290PF00071_RASK_HUMAN64 96% 0.560 PF00071 C1_S198 - (0)20 21 / 47 / 17 15--
291PF00071_RASN_HUMAN52 100% 0.620 PF00071 C1_S180 - (0)20 14 / 43 / 12 11--
292PF00072_AHK3_ARATH7 62% 0.134 PF00072 C1_S18 - (0)7 - / - / 7 6--
293PF00072_AHK4_ARATH14 100% 0.141 PF00072 C3_S116 - (0)12 - / 2 / 12 6--
294PF00072_PDE8A_HUMAN14 100% 0.215 PF00233 C2_S141 - (3)15 - / 2 / 10 10--
295PF00072_PDE8B_HUMAN16 78% 0.188 PF00233 C1_S139 - (3)17 - / 5 / 9 11--
296PF00074_RNAS1_BISBI29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 5 0.19
297PF00074_RNAS1_BOVIN29 100% 0.433 PF00074 C9_S139 - (0)20 - / 1 / 24 9 21 0.59
298PF00074_RNAS1_HUMAN19 100% 0.405 PF00074 C8_S123 - (0)18 - / 4 / 13 8 8 0.22
299PF00074_RNAS2_HUMAN10 100% 0.406 PF00074 C4_S114 - (0)10 - / 2 / 7 6--
300PF00074_RNS_BOVIN36 100% 0.478 PF00074 C8_S143 - (0)20 - / 4 / 26 13 5 0.03

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