Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME_2015 (Oct 2015)

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


Sort by entries

[Nb of SA]
[Best Ident]
[Best Score]
Main Code
[Name]
[Number]
[Number]
Distribution of CDocking pKd
[Number]
200GSK3B_HUMAN82 100% 0.848 PF00069 C1_S1109 - (17)20 3 / 29 / 47 36
201FES_HUMAN107 99% 0.560 PF00018 C1_S1136 - (17)20 34 / 47 / 28 30
202LMTK1_HUMAN74 36% 0.431 PF01030 C1_S1111 - (15)20 - / 22 / 52 25
203EPHA3_HUMAN80 99% 0.612 PF00018 C3_S188 - (19)20 15 / 41 / 22 38
204CDKL4_HUMAN71 72% 0.575 PF00069 C1_S195 - (7)20 - / 17 / 50 40
205PAK6_HUMAN76 99% 0.537 PF00069 C1_S1112 - (19)20 7 / 32 / 38 27
206CDK13_HUMAN82 91% 0.538 PF00069 C3_S1104 - (3)20 1 / 14 / 74 70
207M4K5_HUMAN92 48% 0.524 PF00069 C2_S1111 - (25)20 2 / 46 / 46 33
208TGFR1_HUMAN35 100% 0.534 PF08515 C1_S162 - (0)20 1 / 22 / 13 16
209NIM1_HUMAN36 43% 0.480 PF00069 C1_S1104 - (13)20 - / 6 / 30 15
210MK01_HUMAN101 100% 0.770 PF00069 C1_S1130 - (25)20 6 / 34 / 60 57
211M3K8_HUMAN35 100% 0.517 PF00069 C1_S1114 - (13)20 1 / 18 / 20 12
212RK_HUMAN61 84% 0.563 PF00615 C1_S178 - (25)20 1 / 33 / 25 1
213LIMK1_HUMAN69 100% 0.503 PF00018 C3_S1121 - (11)20 8 / 33 / 30 19
214FGFR2_HUMAN44 100% 0.591 PF07714 C3_S177 - (0)20 12 / 22 / 8 24
215FGFR4_HUMAN72 100% 0.619 PF07714 C3_S180 - (28)20 10 / 21 / 38 19
216WNK3_HUMAN67 90% 0.513 PF02196 C1_S182 - (4)20 4 / 53 / 12 28
217KPCD2_HUMAN64 37% 0.479 PF00069 C1_S1111 - (44)20 1 / 22 / 40 15
218NEK3_HUMAN21 55% 0.523 PF00069 C2_S165 - (9)20 - / 13 / 9 16
219CDK3_HUMAN98 77% 0.565 PF00069 C1_S1119 - (8)20 2 / 36 / 51 59
220STK3_HUMAN93 99% 0.550 PF00069 C4_S1119 - (26)20 6 / 51 / 37 36
221M4K1_HUMAN81 44% 0.480 PF00069 C1_S1105 - (20)20 8 / 50 / 31 31
222KSR2_HUMAN66 100% 0.467 PF02196 C3_S170 - (0)20 2 / 39 / 22 25
223ERBB4_HUMAN66 100% 0.574 PF01030 C5_S170 - (19)20 14 / 28 / 22 28
224PIM3_HUMAN95 75% 0.541 PF00069 C1_S1122 - (16)20 - / 55 / 40 58
225AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
226M4K2_HUMAN86 48% 0.535 PF00069 C2_S1104 - (23)20 4 / 40 / 52 35
227ITK_HUMAN111 100% 0.545 PF00018 C4_S1127 - (5)20 14 / 58 / 43 57
228MK15_HUMAN86 51% 0.544 PF00069 C3_S1111 - (27)20 5 / 36 / 38 35
229MK04_HUMAN54 73% 0.483 PF00069 C3_S1112 - (23)20 - / 27 / 28 26
230MK03_HUMAN93 100% 0.756 PF00069 C1_S1123 - (26)20 6 / 36 / 51 47
231SGK3_HUMAN62 73% 0.560 PF00433 C2_S179 - (10)20 1 / 47 / 13 38
232SGK1_HUMAN62 99% 0.559 PF00433 C1_S178 - (11)20 2 / 48 / 10 37
233NEK6_HUMAN56 81% 0.520 PF00069 C1_S1125 - (9)20 - / 16 / 42 25
234TSSK2_HUMAN30 39% 0.449 PF00069 C1_S1104 - (15)20 1 / 12 / 14 12
235ST38L_HUMAN65 47% 0.531 PF00069 C1_S179 - (14)20 - / 26 / 43 31
236MKNK2_HUMAN30 100% 0.518 PF00069 C1_S180 - (16)20 - / 9 / 19 10
237KPCG_HUMAN67 75% 0.484 PF00433 C1_S179 - (15)20 - / 57 / 11 35
238CLK2_HUMAN20 99% 0.513 PF00069 C1_S135 - (13)20 - / 14 / 8 10
239KPCD1_HUMAN38 39% 0.447 PF00069 C2_S1116 - (31)20 - / 16 / 23 12
240CDK14_HUMAN99 60% 0.504 PF00069 C1_S1117 - (12)20 1 / 20 / 79 87
241KC1AL_HUMAN55 72% 0.526 PF00069 C1_S181 - (7)20 - / 39 / 17 19
242INSR_HUMAN72 100% 0.775 PF01030 C1_S190 - (10)20 7 / 46 / 19 41
243CDK9_HUMAN97 99% 0.497 PF00069 C1_S1117 - (11)20 1 / 29 / 67 72
244VGFR2_HUMAN89 100% 0.636 PF07714 C3_S194 - (25)20 31 / 30 / 29 34
245TYK2_HUMAN94 100% 0.525 PF00017 C1_S1101 - (0)20 7 / 63 / 25 41
246VGFR1_HUMAN88 100% 0.562 PF07714 C6_S193 - (22)20 31 / 31 / 26 37
247ULK3_HUMAN99 39% 0.589 PF00069 C2_S1118 - (16)20 3 / 74 / 22 57
248NEK8_HUMAN37 48% 0.544 PF00069 C3_S196 - (9)20 - / 10 / 27 27
249FAK2_HUMAN93 100% 0.518 PF00018 C2_S199 - (15)20 31 / 36 / 27 39
250TAOK3_HUMAN80 81% 0.556 PF00069 C3_S1100 - (20)20 5 / 30 / 46 31

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