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]
1CDK17_HUMAN102 81% 0.535 PF00069 C1_S1117 - (9)20 1 / 23 / 77 91
2CDK19_HUMAN105 88% 0.566 PF00069 C1_S1147 - (8)20 4 / 18 / 90 88
3CDK14_HUMAN99 60% 0.504 PF00069 C1_S1117 - (12)20 1 / 20 / 79 87
4CDK8_HUMAN104 100% 0.559 PF00069 C1_S1142 - (6)20 3 / 20 / 88 85
5CDK10_HUMAN107 45% 0.598 PF00069 C1_S1136 - (6)20 1 / 16 / 94 85
6CDK16_HUMAN106 99% 0.511 PF00069 C1_S1120 - (10)20 1 / 30 / 74 81
7CDK12_HUMAN94 99% 0.531 PF00069 C2_S1107 - (7)20 2 / 20 / 73 79
8CDK9_HUMAN97 99% 0.497 PF00069 C1_S1117 - (11)20 1 / 29 / 67 72
9CDKL5_HUMAN95 99% 0.514 PF00069 C2_S1112 - (1)20 - / 18 / 76 71
10CHK1_HUMAN83 100% 0.518 PF00069 C1_S1109 - (5)20 3 / 57 / 23 70
11MAK_HUMAN97 39% 0.548 PF00069 C2_S1114 - (1)20 - / 20 / 81 70
12CDK13_HUMAN82 91% 0.538 PF00069 C3_S1104 - (3)20 1 / 14 / 74 70
13UFO_HUMAN107 69% 0.556 PF00018 C3_S1126 - (9)20 42 / 44 / 21 69
14MERTK_HUMAN110 100% 0.587 PF00018 C1_S1131 - (7)20 51 / 45 / 15 68
15KAPCG_HUMAN100 84% 0.819 PF00069 C1_S1121 - (22)20 11 / 53 / 39 67
16AURKA_HUMAN95 100% 0.576 PF00069 C1_S1110 - (20)20 10 / 68 / 16 64
17MK11_HUMAN87 99% 0.524 PF00069 C1_S1101 - (7)20 27 / 44 / 17 64
18KAPCB_HUMAN99 92% 0.828 PF00069 C1_S1121 - (26)20 11 / 52 / 38 63
19KAPCA_HUMAN101 99% 0.843 PF00069 C1_S1123 - (25)20 12 / 53 / 38 63
20AURKB_HUMAN95 99% 0.504 PF00069 C1_S1112 - (19)20 8 / 60 / 27 62
21AURKC_HUMAN100 84% 0.576 PF00069 C1_S1113 - (17)20 10 / 63 / 26 62
22CDK6_HUMAN96 100% 0.765 PF00069 C1_S1112 - (5)20 1 / 42 / 47 61
23CDK2_HUMAN98 100% 0.809 PF00069 C1_S1121 - (8)20 2 / 36 / 50 61
24PIM1_HUMAN84 100% 0.555 PF00069 C1_S1108 - (15)20 - / 45 / 38 60
25TXK_HUMAN113 66% 0.433 PF00018 C1_S1130 - (4)20 20 / 69 / 28 60
26CDK3_HUMAN98 77% 0.565 PF00069 C1_S1119 - (8)20 2 / 36 / 51 59
27TEC_HUMAN114 67% 0.455 PF00018 C3_S1131 - (3)20 27 / 67 / 24 59
28BTK_HUMAN100 100% 0.672 PF00018 C1_S1117 - (3)20 24 / 48 / 31 58
29MK14_HUMAN87 100% 0.795 PF00069 C1_S1104 - (7)20 20 / 43 / 27 58
30PIM3_HUMAN95 75% 0.541 PF00069 C1_S1122 - (16)20 - / 55 / 40 58
31MK01_HUMAN101 100% 0.770 PF00069 C1_S1130 - (25)20 6 / 34 / 60 57
32PRKX_HUMAN100 53% 0.509 PF00069 C1_S1117 - (27)20 8 / 56 / 35 57
33ITK_HUMAN111 100% 0.545 PF00018 C4_S1127 - (5)20 14 / 58 / 43 57
34ULK3_HUMAN99 39% 0.589 PF00069 C2_S1118 - (16)20 3 / 74 / 22 57
35KS6A4_HUMAN92 69% 0.513 PF00069 C1_S1101 - (21)20 7 / 59 / 27 57
36KGP2_HUMAN89 46% 0.474 PF00069 C3_S1111 - (28)20 8 / 47 / 33 56
37CDK1_HUMAN101 100% 0.544 PF00069 C1_S1124 - (9)20 2 / 42 / 55 56
38PRKY_HUMAN101 52% 0.442 PF00069 C1_S1118 - (29)20 6 / 50 / 42 56
39JAK2_HUMAN95 99% 0.457 PF00017 C1_S197 - (0)20 5 / 71 / 20 56
40CDKL3_HUMAN102 99% 0.569 PF00069 C3_S1124 - (11)20 1 / 20 / 82 56
41CDKL2_HUMAN102 99% 0.577 PF00069 C2_S1130 - (9)20 2 / 37 / 55 56
42MK09_HUMAN95 97% 0.494 PF00069 C1_S1121 - (11)20 20 / 48 / 29 56
43CDK7_HUMAN99 100% 0.524 PF00069 C1_S1123 - (11)20 2 / 36 / 59 54
44KS6B2_HUMAN90 81% 0.549 PF00069 C1_S1113 - (16)20 1 / 63 / 30 54
45AKT1_HUMAN107 100% 0.511 PF00433 C1_S1133 - (20)20 6 / 79 / 21 53
46CDKL1_HUMAN101 98% 0.560 PF00069 C1_S1128 - (8)20 1 / 42 / 54 53
47LCK_HUMAN101 100% 0.692 PF00018 C3_S1112 - (6)20 32 / 53 / 17 53
48CDK5_HUMAN98 100% 0.520 PF00069 C1_S1115 - (7)20 2 / 41 / 50 53
49CDK18_HUMAN99 77% 0.456 PF00069 C1_S1126 - (9)20 2 / 38 / 50 53
50MOK_HUMAN85 36% 0.411 PF00069 C1_S1111 - (6)20 - / 8 / 75 52

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