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)
1TYK2_HUMAN24 100% 0.567 PF00017 C2_S1113 - (5)11 3 / 19 / 6 23 90 -0.28
2FES_HUMAN86 100% 0.588 PF00018 C1_S1145 - (14)20 31 / 40 / 12 27 192 0.05
3SRC_HUMAN100 100% 0.825 PF00018 C4_S1119 - (4)20 39 / 45 / 14 51 439 -0.23
4HCK_HUMAN104 100% 0.814 PF00018 C4_S1122 - (7)20 37 / 46 / 18 26 55 -0.18
5MATK_HUMAN100 100% 0.649 PF00018 C2_S1136 - (14)20 35 / 45 / 18 31 132 -0.14
6LYN_HUMAN106 100% 0.612 PF00018 C3_S1188 - (7)20 37 / 48 / 18 27 623 -0.52
7LCK_HUMAN104 100% 0.761 PF00018 C3_S1226 - (5)20 36 / 49 / 15 46 974 -0.56
8BLK_HUMAN105 100% 0.566 PF00018 C2_S1228 - (9)20 36 / 42 / 20 49 656 -0.32
9FYN_HUMAN101 100% 0.640 PF00018 C4_S1196 - (4)20 38 / 46 / 14 46 677 -0.49
10SRMS_HUMAN104 100% 0.603 PF00018 C3_S1128 - (7)20 31 / 51 / 20 38 134 -0.44
11ABL1_HUMAN104 100% 0.834 PF00018 C2_S1170 - (15)20 58 / 29 / 15 34 677 -0.60
12FRK_HUMAN53 100% 0.598 PF00018 C1_S1124 - (5)20 17 / 23 / 11 21 560 -0.43
13PTK6_HUMAN64 100% 0.531 PF00018 C3_S196 - (5)20 13 / 37 / 13 29 140 -0.26
14FER_HUMAN102 100% 0.637 PF00018 C2_S1163 - (13)20 41 / 45 / 16 35 387 -0.19
15MET_HUMAN87 100% 0.609 PF00018 C2_S1163 - (9)20 41 / 25 / 21 49 557 -0.21
16RON_HUMAN70 100% 0.628 PF00018 C2_S1130 - (9)20 21 / 19 / 31 38 424 -0.55
17TYRO3_HUMAN96 100% 0.542 PF00018 C4_S1150 - (9)20 44 / 34 / 19 57 523 -0.62
18ACK1_HUMAN68 100% 0.572 PF00018 C3_S1138 - (20)20 13 / 30 / 22 27 324 -0.62
19UFO_HUMAN98 100% 0.592 PF00018 C5_S1166 - (8)20 48 / 37 / 16 55 470 -0.56
20BRAF_HUMAN47 100% 0.570 PF00018 C2_S1106 - (6)18 16 / 27 / 4 24 14 -
21NTRK3_HUMAN85 100% 0.613 PF00018 C5_S1193 - (16)20 19 / 47 / 21 36 721 -0.55
22IRAK4_HUMAN57 100% 0.500 PF00018 C2_S1113 - (8)20 8 / 34 / 18 20 602 -0.02
23EPHA2_HUMAN88 100% 0.630 PF00018 C2_S1204 - (18)20 27 / 78 / 31 41 370 -0.35
24BMX_HUMAN20 98% 0.573 PF00018 C1_S1134 - (6)20 7 / 10 / 2 ---
25FAK1_HUMAN97 100% 0.651 PF00018 C2_S1158 - (17)20 33 / 80 / 34 37 517 -0.45
26JAK2_HUMAN93 100% 0.554 PF00018 C2_S1166 - (12)20 37 / 45 / 10 27 732 -0.35
27FAK2_HUMAN98 100% 0.658 PF00018 C2_S1125 - (15)20 40 / 39 / 16 35 154 -0.01
28BTK_HUMAN93 100% 0.711 PF00018 C1_S1231 - (5)20 53 / 88 / 15 44 438 -0.40
29LIMK1_HUMAN20 100% 0.560 PF00018 101 - (9)1 - / - / - ---
30MLTK_HUMAN54 100% 0.526 PF00018 C2_S1132 - (12)20 8 / 33 / 13 21 381 -0.15
31ITK_HUMAN88 100% 0.662 PF00018 C5_S1159 - (6)20 14 / 51 / 23 40 351 -0.21
32M3K10_HUMAN10 39% 0.538 PF00018 C1_S1117 - (15)11 - / 6 / 4 6 11 -0.21
33GSK3A_HUMAN54 86% 0.817 PF00069 C1_S183 - (9)20 - / 10 / 42 43 1299 -0.23
34PASK_HUMAN71 99% 0.455 PF00069 C1_S1114 - (20)20 - / 24 / 45 16 55 -0.34
35NEK2_HUMAN21 100% 0.590 PF00069 C1_S1126 - (12)20 1 / 16 / 3 16 612 -0.30
36PIM3_HUMAN75 75% 0.562 PF00069 C1_S1121 - (18)20 - / 38 / 35 50 669 -0.14
37KGP1_HUMAN87 45% 0.582 PF00069 C3_S1108 - (29)20 6 / 50 / 32 50 397 -0.36
38MK14_HUMAN80 100% 0.795 PF00069 C1_S196 - (5)20 19 / 41 / 17 52 345 -0.53
39CDK2_HUMAN96 100% 0.809 PF00069 C1_S1116 - (9)20 - / 34 / 50 48 1163 -0.17
40MK13_HUMAN32 100% 0.604 PF00069 C1_S193 - (7)17 8 / 21 / 9 27 114 -0.11
41CDK5_HUMAN89 100% 0.665 PF00069 C1_S1114 - (8)20 - / 32 / 55 45 1273 -0.43
42MK08_HUMAN81 100% 0.540 PF00069 C1_S197 - (8)20 12 / 47 / 20 50 724 -0.34
43CDK7_HUMAN90 100% 0.765 PF00069 C1_S1121 - (13)20 2 / 30 / 53 53 612 -0.59
44KGP2_HUMAN90 46% 0.544 PF00069 C4_S1110 - (27)20 6 / 47 / 37 48 249 -0.25
45CDK1_HUMAN100 66% 0.599 PF00069 C1_S1121 - (10)20 - / 39 / 57 47 798 -0.28
46MK09_HUMAN89 97% 0.494 PF00069 C1_S1111 - (9)20 15 / 51 / 23 47 812 -0.42
47DYRK3_HUMAN19 37% 0.495 PF00069 C1_S1121 - (10)19 - / 4 / 13 4 100 -0.20
48KAPCA_HUMAN98 99% 0.855 PF00069 C1_S1123 - (25)20 8 / 47 / 41 48 1162 -0.48
49MK12_HUMAN44 100% 0.596 PF00069 C1_S1114 - (8)17 10 / 25 / 10 22 106 -0.00
50CSK21_HUMAN82 100% 0.808 PF00069 C1_S1126 - (20)20 2 / 29 / 39 30 639 -0.10

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