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]
1CDK2_HUMAN424 100% 0.80 PF00069 C1_S1464 - (31)20 4 / 233 / 183 289
2MK14_HUMAN185 100% 0.78 PF00069 C1_S1203 - (0)20 76 / 88 / 21 161
3MK01_HUMAN135 100% 0.78 PF00069 C1_S1173 - (1)20 18 / 63 / 50 108
4PIM1_HUMAN110 100% 0.37 PF00069 C1_S1126 - (8)20 - / 58 / 51 100
5CHK1_HUMAN103 100% 0.27 PF00069 C2_S1105 - (0)20 3 / 62 / 38 94
6AURKA_HUMAN162 100% 0.35 PF00069 C1_S1190 - (54)20 18 / 115 / 29 87
7EGFR_HUMAN135 100% 0.14 PF01030 C2_S1136 - (26)138 16 / 83 / 38 67
8KAPCB_HUMAN85 93% 0.82 PF00069 C1_S194 - (22)19 8 / 40 / 37 61
9BTK_HUMAN69 100% 0.28 PF00018 C1_S175 - (0)20 35 / 28 / 6 60
10KSYK_HUMAN69 100% 0.45 PF00017 C1_S176 - (3)20 5 / 59 / 5 58
11MET_HUMAN70 100% 0.13 PF01833 C2_S179 - (0)20 51 / 18 / - 57
12JAK2_HUMAN89 99% 0.14 PF00017 C1_S191 - (0)20 6 / 67 / 16 56
13CSK21_HUMAN113 100% 0.67 PF00069 C1_S1156 - (0)18 14 / 48 / 42 54
14CSK23_HUMAN110 99% 0.66 PF00069 C1_S1152 - (0)20 14 / 48 / 41 54
15GSK3B_HUMAN95 100% 0.67 PF00069 C1_S198 - (9)20 3 / 50 / 40 47
16BRAF_HUMAN96 100% 0.21 PF02196 C1_S199 - (0)20 53 / 39 / 4 45
17KAPCA_HUMAN54 99% 0.87 PF00069 C1_S159 - (0)19 7 / 26 / 20 43
18MK08_HUMAN45 100% 0.39 PF00069 C1_S147 - (3)20 7 / 27 / 10 38
19FGFR1_HUMAN86 100% 0.22 PF07714 C1_S1110 - (0)20 22 / 46 / 18 38
20MK10_HUMAN45 100% 0.39 PF00069 C1_S149 - (3)20 12 / 22 / 10 38
21ALK_HUMAN47 100% 0.10 PF07714 C1_S149 - (0)20 12 / 31 / 2 35
22EPHA2_HUMAN39 100% 0.18 PF00536 C2_S145 - (4)20 4 / 28 / 7 32
23ITK_HUMAN49 100% 0.24 PF00018 C2_S157 - (0)20 6 / 31 / 10 31
24LCK_HUMAN33 100% 0.42 PF00018 C1_S135 - (1)20 7 / 17 / 9 31
25TTK_HUMAN35 100% 0.18 -C1_S145 - (0)20 9 / 20 / 5 31
26JAK3_HUMAN44 99% 0.14 PF07714 C1_S153 - (0)20 - / 35 / 11 31
27CHK2_HUMAN30 100% 0.28 PF00069 C1_S136 - (1)20 1 / 16 / 13 30
28PDPK1_HUMAN47 100% 0.28 PF00069 C1_S163 - (19)20 5 / 25 / 16 29
29ABL1_HUMAN95 100% 0.33 PF00018 C1_S1103 - (8)20 59 / 30 / 6 29
30PDPK2_HUMAN47 99% 0.39 PF00069 C1_S163 - (19)20 5 / 25 / 16 29
31ABL2_HUMAN85 100% 0.19 PF00018 C1_S196 - (8)20 49 / 29 / 7 27
32FAK1_HUMAN41 100% 0.31 PF07714 C1_S143 - (4)20 5 / 20 / 14 27
33SRC_HUMAN45 100% 0.14 PF00018 C2_S145 - (3)19 3 / 9 / 25 24
34HCK_HUMAN42 100% 0.68 PF00018 C1_S147 - (2)20 23 / 13 / 6 23
35STK24_HUMAN26 99% 0.34 PF00069 C1_S126 - (0)20 1 / 15 / 10 22
36PAK1_HUMAN31 100% 0.30 PF00069 C1_S136 - (0)20 7 / 19 / 5 21
37NTRK1_HUMAN24 100% 0.21 PF18613 C2_S126 - (0)20 13 / 11 / - 21
38CDK8_HUMAN23 100% 0.43 PF00069 C1_S137 - (0)20 3 / 14 / 4 21
39PAK3_HUMAN30 95% 0.29 PF00069 C1_S134 - (0)20 7 / 18 / 5 20
40TYK2_HUMAN21 100% 0.24 PF07714 C2_S121 - (0)20 2 / 17 / 2 20
41TGFR1_HUMAN23 100% 0.35 PF08515 C1_S124 - (0)20 3 / 14 / 5 20
42PAK2_HUMAN30 91% 0.32 PF00069 C1_S133 - (0)20 7 / 15 / 8 19
43MP2K1_HUMAN36 100% 0.48 PF00069 C1_S156 - (28)20 3 / 22 / 11 19
44NEK2_HUMAN19 100% 0.30 PF00069 C1_S122 - (0)19 1 / 17 / 1 19
45DAPK1_HUMAN42 100% 0.12 PF00069 C1_S143 - (20)20 1 / 12 / 24 19
46IRAK4_HUMAN33 100% 0.30 PF07714 C1_S133 - (0)20 6 / 25 / 2 19
47M3K7_HUMAN18 92% 0.22 PF07714 C1_S118 - (1)18 5 / 9 / 4 18
48MELK_HUMAN19 100% 0.26 PF00069 C1_S121 - (0)19 4 / 14 / 1 17
49JAK1_HUMAN32 99% 0.15 PF07714 C1_S137 - (0)20 - / 23 / 9 17
50PAK4_HUMAN23 99% 0.29 PF00069 C1_S134 - (0)19 1 / 15 / 6 17

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