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)
1PLK3_HUMAN18 53% 0.605 PF00069 C1_S1130 - (15)20 7 / 8 / 5 14 541 -0.26
2IRAK1_HUMAN43 38% 0.501 PF00069 C2_S199 - (10)20 2 / 22 / 23 17 606 -0.07
3CLK4_HUMAN15 86% 0.543 PF00069 C1_S142 - (13)20 - / 12 / 8 8 1343 -0.39
4NEK4_HUMAN26 50% 0.684 PF00069 C1_S1119 - (24)20 1 / 17 / 10 21 523 -0.10
5KC1A_HUMAN25 76% 0.567 PF00069 C1_S147 - (7)20 - / 21 / 10 14 741 -0.46
6MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
7ALK_HUMAN68 100% 0.551 PF07714 C1_S1114 - (18)20 8 / 36 / 20 34 713 -0.40
8PASK_HUMAN71 99% 0.455 PF00069 C1_S1114 - (20)20 - / 24 / 45 16 55 -0.34
9PGFRB_HUMAN89 100% 0.553 PF07714 C6_S1135 - (5)20 3 / 14 / 65 8 145 -0.60
10IGF1R_HUMAN67 100% 0.823 PF07714 C2_S1108 - (13)20 7 / 37 / 19 36 267 -0.64
11MELK_HUMAN72 99% 0.562 PF00069 C1_S1116 - (16)20 - / 19 / 53 39 596 -0.10
12MP2K2_HUMAN41 86% 0.641 PF00069 C1_S1102 - (36)20 4 / 39 / 17 18 339 -0.54
13ROS1_HUMAN83 100% 0.592 PF07714 C2_S1136 - (18)20 3 / 33 / 44 32 329 -0.22
14KPCD3_HUMAN43 39% 0.571 PF00069 C1_S1120 - (40)20 - / 13 / 29 13 874 -0.39
15MRCKA_HUMAN43 99% 0.588 PF08912 C3_S161 - (10)20 - / 16 / 26 19 597 -0.21
16EPHA2_HUMAN88 100% 0.630 PF00018 C2_S1204 - (18)20 27 / 78 / 31 41 370 -0.35
17KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
18AKT3_HUMAN71 86% 0.566 PF00433 C1_S192 - (23)20 4 / 42 / 21 34 382 -0.44
19M4K2_HUMAN53 48% 0.554 PF00069 C1_S1104 - (27)20 4 / 23 / 28 23 1031 -0.42
20PRKX_HUMAN93 53% 0.530 PF00069 C1_S1116 - (28)20 6 / 52 / 34 50 785 -0.47
21ROCK1_HUMAN36 100% 0.574 PF08912 C2_S142 - (0)20 - / 12 / 24 18 1416 -0.45
22PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
23ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
24SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
25SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
26RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
27MAPK2_HUMAN34 100% 0.672 PF00069 C1_S187 - (19)20 - / 21 / 16 14 297 -0.28
28KSYK_HUMAN98 100% 0.528 PF01030 C2_S1165 - (20)20 19 / 45 / 32 41 349 -0.13
29PGFRA_HUMAN95 100% 0.588 PF07714 C2_S1128 - (12)20 3 / 16 / 68 15 300 -0.56
30MAPK3_HUMAN35 100% 0.614 PF00069 C1_S185 - (18)20 - / 20 / 16 15 102 -0.03
31MK09_HUMAN89 97% 0.494 PF00069 C1_S1111 - (9)20 15 / 51 / 23 47 812 -0.42
32CDK5_HUMAN89 100% 0.665 PF00069 C1_S1114 - (8)20 - / 32 / 55 45 1273 -0.43
33ST17A_HUMAN46 60% 0.514 PF00069 C1_S1101 - (33)20 - / 15 / 30 13 598 -0.27
34CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23
35CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
36CDK2_HUMAN96 100% 0.809 PF00069 C1_S1116 - (9)20 - / 34 / 50 48 1163 -0.17
37PIM2_HUMAN74 100% 0.549 PF00069 C1_S1110 - (16)20 - / 40 / 32 39 279 -0.18
38ROCK2_HUMAN44 98% 0.585 PF08912 C3_S170 - (11)20 - / 18 / 27 22 1233 -0.30
39TAOK1_HUMAN37 89% 0.589 PF00069 C1_S1113 - (22)20 2 / 10 / 21 11 412 -0.44
40ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
41EGFR_HUMAN65 100% 0.520 PF01030 C3_S1129 - (13)20 22 / 44 / 24 26 350 -0.16
42STK33_HUMAN29 39% 0.583 PF00069 C1_S199 - (28)20 - / 12 / 14 7 2 -1.00
43MAPK5_HUMAN34 46% 0.557 PF00069 C2_S185 - (17)20 - / 25 / 11 14 104 -0.30
44IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
45LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
46NEK2_HUMAN21 100% 0.590 PF00069 C1_S1126 - (12)20 1 / 16 / 3 16 612 -0.30
47KCC2A_HUMAN61 100% 0.567 PF00069 C1_S1100 - (37)20 - / 12 / 47 19 257 -0.60
48AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
49AKT1_HUMAN100 100% 0.556 PF00069 C1_S1282 - (27)20 8 / 67 / 25 48 438 -0.42
50KS6A5_HUMAN41 100% 0.598 PF00433 C1_S153 - (10)20 2 / 29 / 10 24 351 -0.41

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