Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
KINOME (Jul 2013)

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)
50MK10_HUMAN84 100% 0.535 PF00069 C2_S1101 - (8)20 17 / 46 / 18 46 73 -0.15
51ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
52FGFR1_HUMAN82 99% 0.598 PF07714 C3_S1102 - (31)10 11 / 33 / 36 30 351 -0.46
53CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10
54MK08_HUMAN81 100% 0.540 PF00069 C1_S197 - (8)20 12 / 47 / 20 50 724 -0.34
55AAPK1_HUMAN81 100% 0.565 PF00069 C4_S1122 - (14)20 - / 45 / 40 41 847 -0.42
56MK14_HUMAN80 100% 0.795 PF00069 C1_S196 - (5)20 19 / 41 / 17 52 345 -0.53
57KCC1D_HUMAN80 84% 0.633 PF00069 C1_S1115 - (41)20 - / 37 / 47 27 231 -0.62
58MK01_HUMAN78 100% 0.804 PF00069 C1_S1100 - (22)20 2 / 29 / 44 47 463 -0.05
59STK3_HUMAN77 91% 0.554 PF00069 C4_S1133 - (47)20 9 / 44 / 28 36 828 -0.17
60JAK3_HUMAN76 100% 0.573 PF07714 C1_S1128 - (18)20 13 / 34 / 23 32 700 -0.32
61MARK4_HUMAN75 86% 0.590 PF00069 C3_S1108 - (14)20 1 / 29 / 48 47 44 -0.53
62PIM3_HUMAN75 75% 0.562 PF00069 C1_S1121 - (18)20 - / 38 / 35 50 669 -0.14
63CHK2_HUMAN74 100% 0.621 PF00069 C1_S1123 - (30)20 1 / 24 / 50 38 567 -0.25
64PIM2_HUMAN74 100% 0.549 PF00069 C1_S1110 - (16)20 - / 40 / 32 39 279 -0.18
65INSR_HUMAN73 100% 0.787 PF07714 C2_S1141 - (11)20 7 / 40 / 21 39 281 -0.25
66MELK_HUMAN72 99% 0.562 PF00069 C1_S1116 - (16)20 - / 19 / 53 39 596 -0.10
67CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23
68MARK2_HUMAN71 100% 0.570 PF00069 C1_S1108 - (10)20 - / 13 / 57 31 735 -0.28
69ERBB4_HUMAN71 100% 0.589 PF01030 C5_S191 - (14)20 8 / 7 / 4 13 227 -0.37
70AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
71PASK_HUMAN71 99% 0.455 PF00069 C1_S1114 - (20)20 - / 24 / 45 16 55 -0.34
72RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
73BRSK1_HUMAN70 50% 0.620 PF00069 C3_S1106 - (38)20 - / 22 / 49 23 618 -0.08
74DCLK1_HUMAN69 46% 0.548 PF00069 C1_S1107 - (41)20 - / 14 / 54 16 87 -0.20
75ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
76MARK3_HUMAN68 99% 0.562 PF00069 C2_S1106 - (15)20 - / 23 / 47 33 754 -0.27
77ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
78IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
79ERBB2_HUMAN66 100% 0.571 PF01030 C3_S1118 - (13)20 25 / 42 / 19 31 187 -0.44
80EGFR_HUMAN65 100% 0.520 PF01030 C3_S1129 - (13)20 22 / 44 / 24 26 350 -0.16
81PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
82LTK_HUMAN62 100% 0.530 PF07714 C1_S1165 - (21)20 8 / 32 / 17 27 527 -0.63
83PIM1_HUMAN62 100% 0.608 PF00069 C1_S192 - (18)20 - / 30 / 32 37 1640 -0.15
84KCC2A_HUMAN61 100% 0.567 PF00069 C1_S1100 - (37)20 - / 12 / 47 19 257 -0.60
85DAPK3_HUMAN61 99% 0.605 PF00069 C1_S1101 - (38)20 1 / 17 / 41 15 778 -0.48
86PLK4_HUMAN61 99% 0.539 PF00069 C2_S1114 - (14)20 3 / 30 / 25 37 875 -0.36
87KPCZ_HUMAN60 85% 0.647 PF00433 C2_S185 - (22)20 - / 21 / 40 29 164 -0.23
88SIK2_HUMAN59 54% 0.522 PF00069 C1_S192 - (20)20 2 / 24 / 35 26 59 0.18
89KCC2G_HUMAN58 99% 0.547 PF00069 C2_S1100 - (30)20 - / 14 / 45 16 578 -0.14
90KCC2B_HUMAN57 99% 0.550 PF00069 C1_S198 - (31)20 - / 8 / 45 17 540 -0.14
91PDPK1_HUMAN57 100% 0.540 PF00069 C2_S192 - (16)20 4 / 38 / 13 37 440 -0.18
92KPCG_HUMAN57 75% 0.535 PF00433 C1_S181 - (27)20 - / 38 / 24 27 467 -0.33
93IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
94KCC2D_HUMAN56 99% 0.559 PF00069 C1_S1100 - (30)20 - / 14 / 43 15 641 -0.16
95KPCT_HUMAN56 100% 0.625 PF00433 C1_S177 - (20)20 1 / 39 / 20 27 342 -0.50
96MLTK_HUMAN54 100% 0.526 PF00018 C2_S1132 - (12)20 8 / 33 / 13 21 381 -0.15
97GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
98SGK1_HUMAN54 99% 0.561 PF00433 C1_S186 - (14)20 2 / 37 / 18 30 731 -0.29
99GRK5_HUMAN54 72% 0.572 PF00433 C1_S185 - (28)20 - / 31 / 20 26 342 -0.63
100FRK_HUMAN53 100% 0.598 PF00018 C1_S1124 - (5)20 17 / 23 / 11 21 560 -0.43

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