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)
1TOPK_HUMAN20 29% 0.537 PF00069 C1_S153 - (15)1 1 / - / - ---
2SRPK1_HUMAN15 100% 0.582 PF00069 C1_S115 - (0)1 - / - / 1 ---
3LRRK2_HUMAN17 32% 0.485 PF07714 C2_S121 - (2)1 - / 1 / - ---
4LIMK1_HUMAN20 100% 0.560 PF00018 101 - (9)1 - / - / - ---
5CDK19_HUMAN103 91% 0.609 PF00069 C1_S1144 - (9)20 4 / 20 / 85 88 112 -0.21
6CDK8_HUMAN102 100% 0.587 PF00069 C1_S1142 - (8)20 3 / 19 / 84 83 727 -0.34
7CDK9_HUMAN99 99% 0.675 PF00069 C1_S1120 - (10)20 2 / 30 / 67 80 562 -0.49
8CHK1_HUMAN72 100% 0.518 PF00069 C1_S1105 - (7)20 3 / 46 / 23 67 236 -0.23
9AURKB_HUMAN91 99% 0.579 PF00069 C1_S1109 - (12)20 12 / 57 / 22 62 1649 -0.43
10AURKA_HUMAN89 100% 0.576 PF00069 C1_S1112 - (16)20 12 / 61 / 17 57 1179 -0.38
11TYRO3_HUMAN96 100% 0.542 PF00018 C4_S1150 - (9)20 44 / 34 / 19 57 523 -0.62
12UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
13CDK7_HUMAN90 100% 0.765 PF00069 C1_S1121 - (13)20 2 / 30 / 53 53 612 -0.59
14MK14_HUMAN80 100% 0.795 PF00069 C1_S196 - (5)20 19 / 41 / 17 52 345 -0.53
15SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
16MK08_HUMAN81 100% 0.540 PF00069 C1_S197 - (8)20 12 / 47 / 20 50 724 -0.34
17PIM3_HUMAN75 75% 0.562 PF00069 C1_S1121 - (18)20 - / 38 / 35 50 669 -0.14
18KGP1_HUMAN87 45% 0.582 PF00069 C3_S1108 - (29)20 6 / 50 / 32 50 397 -0.36
19PRKX_HUMAN93 53% 0.530 PF00069 C1_S1116 - (28)20 6 / 52 / 34 50 785 -0.47
20BLK_HUMAN105 100% 0.566 PF00018 C2_S1228 - (9)20 36 / 42 / 20 49 656 -0.32
21KS6A4_HUMAN87 69% 0.584 PF00069 C1_S1103 - (23)20 7 / 52 / 30 49 53 0.06
22MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
23AKT2_HUMAN100 100% 0.585 PF00069 C1_S1127 - (32)20 8 / 66 / 27 49 342 -0.21
24KGP2_HUMAN90 46% 0.544 PF00069 C4_S1110 - (27)20 6 / 47 / 37 48 249 -0.25
25AKT1_HUMAN100 100% 0.556 PF00069 C1_S1282 - (27)20 8 / 67 / 25 48 438 -0.42
26CDK2_HUMAN96 100% 0.809 PF00069 C1_S1116 - (9)20 - / 34 / 50 48 1163 -0.17
27KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
28CDK1_HUMAN100 66% 0.599 PF00069 C1_S1121 - (10)20 - / 39 / 57 47 798 -0.28
29MK01_HUMAN78 100% 0.804 PF00069 C1_S1100 - (22)20 2 / 29 / 44 47 463 -0.05
30MARK4_HUMAN75 86% 0.590 PF00069 C3_S1108 - (14)20 1 / 29 / 48 47 44 -0.53
31MK09_HUMAN89 97% 0.494 PF00069 C1_S1111 - (9)20 15 / 51 / 23 47 812 -0.42
32FYN_HUMAN101 100% 0.640 PF00018 C4_S1196 - (4)20 38 / 46 / 14 46 677 -0.49
33LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
34MK10_HUMAN84 100% 0.535 PF00069 C2_S1101 - (8)20 17 / 46 / 18 46 73 -0.15
35FLT3L_HUMAN5 99% 0.611 PF02947 2 - (0)0 - / - / - ---
36CDK5_HUMAN89 100% 0.665 PF00069 C1_S1114 - (8)20 - / 32 / 55 45 1273 -0.43
37BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
38FGFR3_HUMAN20 98% 0.606 PF07714 C3_S1116 - (32)20 2 / 12 / 5 ---
39GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
40EPHA2_HUMAN88 100% 0.630 PF00018 C2_S1204 - (18)20 27 / 78 / 31 41 370 -0.35
41AAPK1_HUMAN81 100% 0.565 PF00069 C4_S1122 - (14)20 - / 45 / 40 41 847 -0.42
42KSYK_HUMAN98 100% 0.528 PF01030 C2_S1165 - (20)20 19 / 45 / 32 41 349 -0.13
43NTRK1_HUMAN91 100% 0.582 PF07714 C3_S1211 - (16)20 12 / 51 / 26 41 669 -0.43
44ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
45NTRK2_HUMAN86 100% 0.592 PF07714 C2_S1222 - (18)20 11 / 49 / 26 40 685 -0.47
46INSR_HUMAN73 100% 0.787 PF07714 C2_S1141 - (11)20 7 / 40 / 21 39 281 -0.25
47MELK_HUMAN72 99% 0.562 PF00069 C1_S1116 - (16)20 - / 19 / 53 39 596 -0.10
48PIM2_HUMAN74 100% 0.549 PF00069 C1_S1110 - (16)20 - / 40 / 32 39 279 -0.18
49RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
50SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44

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