Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I90_2019M4 (2019 - Homo sapiens - Protein Kinase family)

Download : Data.csv | 3D Common Core | 3D Models | DB.fasta


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]
1EGFR_HUMAN135 100% 0.14 PF01030 C2_S1136 - (26)138 16 / 83 / 38 67
2IRAK4_HUMAN33 100% 0.30 PF07714 C1_S133 - (0)20 6 / 25 / 2 19
3KCC2B_HUMAN12 99% 0.22 PF00069 C1_S112 - (0)20 - / 9 / 3 6
4JAK3_HUMAN44 99% 0.14 PF07714 C1_S153 - (0)20 - / 35 / 11 31
5ALK_HUMAN47 100% 0.10 PF07714 C1_S149 - (0)20 12 / 31 / 2 35
6EPHA2_HUMAN39 100% 0.18 PF00536 C2_S145 - (4)20 4 / 28 / 7 32
7ROS1_HUMAN2 99% 0.07 -C1_S12 - (0)20 - / 2 / - 2
8ROCK1_HUMAN24 100% 0.17 PF08912 C1_S124 - (0)20 2 / 11 / 11 13
9CHK1_HUMAN103 100% 0.27 PF00069 C2_S1105 - (0)20 3 / 62 / 38 94
10BMX_HUMAN3 98% 0.23 PF00017 C1_S13 - (0)20 - / 3 / - 2
11NEK1_HUMAN2 99% 0.13 PF00069 C1_S12 - (0)20 - / 1 / 1 1
12KSYK_HUMAN69 100% 0.45 PF00017 C1_S176 - (3)20 5 / 59 / 5 58
13DDR1_HUMAN18 100% 0.21 PF07714 C2_S121 - (0)20 14 / 4 / - 13
14MP2K1_HUMAN36 100% 0.48 PF00069 C1_S156 - (28)20 3 / 22 / 11 19
15CDK19_HUMAN8 93% 0.38 PF00069 C1_S116 - (0)20 - / 8 / - 8
16PAK3_HUMAN30 95% 0.29 PF00069 C1_S134 - (0)20 7 / 18 / 5 20
17PDPK2_HUMAN47 99% 0.39 PF00069 C1_S163 - (19)20 5 / 25 / 16 29
18MK08_HUMAN45 100% 0.39 PF00069 C1_S147 - (3)20 7 / 27 / 10 38
19CLK1_HUMAN24 99% 0.38 PF00069 C1_S137 - (0)20 5 / 15 / 4 13
20TGFR1_HUMAN23 100% 0.35 PF08515 C1_S124 - (0)20 3 / 14 / 5 20
21JAK2_HUMAN89 99% 0.14 PF00017 C1_S191 - (0)20 6 / 67 / 16 56
22ABL2_HUMAN85 100% 0.19 PF00018 C1_S196 - (8)20 49 / 29 / 7 27
23HCK_HUMAN42 100% 0.68 PF00018 C1_S147 - (2)20 23 / 13 / 6 23
24CSK23_HUMAN110 99% 0.66 PF00069 C1_S1152 - (0)20 14 / 48 / 41 54
25PAK1_HUMAN31 100% 0.30 PF00069 C1_S136 - (0)20 7 / 19 / 5 21
26AURKA_HUMAN162 100% 0.35 PF00069 C1_S1190 - (54)20 18 / 115 / 29 87
27MET_HUMAN70 100% 0.13 PF01833 C2_S179 - (0)20 51 / 18 / - 57
28ITK_HUMAN49 100% 0.24 PF00018 C2_S157 - (0)20 6 / 31 / 10 31
29CDK2_HUMAN424 100% 0.80 PF00069 C1_S1464 - (31)20 4 / 233 / 183 289
30PAK2_HUMAN30 91% 0.32 PF00069 C1_S133 - (0)20 7 / 15 / 8 19
31RIPK2_HUMAN19 100% 0.29 PF07714 C2_S119 - (0)20 6 / 13 / - 11
32TYK2_HUMAN21 100% 0.24 PF07714 C2_S121 - (0)20 2 / 17 / 2 20
33MK09_HUMAN3 98% 0.39 PF00069 C1_S13 - (0)20 2 / 1 / - 2
34GSK3B_HUMAN95 100% 0.67 PF00069 C1_S198 - (9)20 3 / 50 / 40 47
35MERTK_HUMAN21 100% 0.17 PF07714 C1_S121 - (3)20 - / 15 / 6 12
36LYN_HUMAN4 100% 0.29 PF00018 C1_S14 - (1)20 - / 2 / 2 4
37AKT2_HUMAN12 99% 0.37 PF00433 C1_S113 - (2)20 2 / 10 / - 10
38CHK2_HUMAN30 100% 0.28 PF00069 C1_S136 - (1)20 1 / 16 / 13 30
39RIPK1_HUMAN15 100% 0.23 PF12721 C1_S115 - (0)20 9 / 6 / - 8
40FGFR1_HUMAN86 100% 0.22 PF07714 C1_S1110 - (0)20 22 / 46 / 18 38
41BRAF_HUMAN96 100% 0.21 PF02196 C1_S199 - (0)20 53 / 39 / 4 45
42DAPK1_HUMAN42 100% 0.12 PF00069 C1_S143 - (20)20 1 / 12 / 24 19
43MK10_HUMAN45 100% 0.39 PF00069 C1_S149 - (3)20 12 / 22 / 10 38
44NTRK1_HUMAN24 100% 0.21 PF18613 C2_S126 - (0)20 13 / 11 / - 21
45MK01_HUMAN135 100% 0.78 PF00069 C1_S1173 - (1)20 18 / 63 / 50 108
46VRK1_HUMAN33 97% 0.42 PF00069 C1_S133 - (0)20 - / 27 / 6 14
47PIM1_HUMAN110 100% 0.37 PF00069 C1_S1126 - (8)20 - / 58 / 51 100
48STK10_HUMAN21 100% 0.17 PF12474 C1_S129 - (0)20 7 / 9 / 5 12
49MK14_HUMAN185 100% 0.78 PF00069 C1_S1203 - (0)20 76 / 88 / 21 161
50JAK1_HUMAN32 99% 0.15 PF07714 C1_S137 - (0)20 - / 23 / 9 17

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