Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I30_2020BIS (2020 - Homo sapiens - Protein Kinase family)

Download : Data.csv | 3D Common Core | 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]
1INSRR_HUMAN302 78% 0.14 PF00018 C3_S1348 - (40)320 89 / 148 / 65 166
2MET_HUMAN507 100% 0.13 PF00018 C4_S1551 - (41)289 121 / 96 / 71 116
3ERBB3_HUMAN325 100% 0.10 PF00018 C5_S1342 - (50)190 73 / 177 / 66 152
4ERBB4_HUMAN396 100% 0.13 PF00018 C5_S1435 - (61)183 113 / 194 / 84 131
5EGFR_HUMAN383 100% 0.14 PF01030 C3_S1425 - (57)168 72 / 223 / 105 229
6ERBB2_HUMAN209 99% 0.14 PF01030 C5_S1224 - (60)147 27 / 113 / 66 100
7AMHR2_HUMAN33 42% 0.27 PF08515 C1_S144 - (0)99 - / 9 / 21 24
8UHMK1_HUMAN30 37% 0.18 PF00069 C1_S137 - (0)58 - / 1 / 32 24
9ANKK1_HUMAN100 45% 0.16 PF07714 C5_S1101 - (7)58 8 / 46 / 43 75
10BMP2K_HUMAN37 99% 0.14 PF00069 C1_S154 - (6)51 3 / 14 / 14 22
11VRK1_HUMAN51 100% 0.54 PF00069 C3_S140 - (1)44 1 / 34 / 9 16
12ERN2_HUMAN61 66% 0.21 PF00069 C3_S193 - (7)24 4 / 21 / 24 20
13PRKX_HUMAN385 55% 0.47 PF00069 C1_S1481 - (93)20 21 / 129 / 101 124
14NEK3_HUMAN76 55% 0.28 PF00069 C1_S1133 - (9)20 - / 33 / 30 27
15MRCKA_HUMAN275 99% 0.13 PF00069 C4_S1359 - (74)20 5 / 101 / 124 54
16DMPK_HUMAN243 100% 0.34 PF00069 C4_S1332 - (46)20 6 / 83 / 121 85
17CLK2_HUMAN106 100% 0.37 PF00069 C1_S1148 - (6)20 6 / 74 / 16 32
18ULK1_HUMAN186 99% 0.15 PF00069 C2_S1290 - (25)20 4 / 76 / 85 26
19PASK_HUMAN247 99% 0.10 PF00069 C3_S1289 - (23)20 - / 81 / 130 13
20SGK3_HUMAN428 73% 0.32 PF00069 C1_S1753 - (117)20 10 / 149 / 212 161
21PLK2_HUMAN43 98% 0.23 PF00659 C1_S174 - (3)20 - / 25 / 15 22
22IGF1R_HUMAN374 100% 0.18 PF00018 C2_S1448 - (49)20 85 / 166 / 103 89
23M3K7_HUMAN211 100% 0.23 PF07714 C3_S1280 - (29)20 26 / 89 / 83 62
24FGFR2_HUMAN261 100% 0.21 PF07714 C6_S1326 - (50)20 67 / 107 / 77 107
25GRK6_HUMAN237 100% 0.53 PF00069 C1_S1381 - (76)20 6 / 122 / 98 66
26KPCE_HUMAN409 72% 0.25 PF00069 C2_S1509 - (102)20 10 / 201 / 175 135
27SNRK_HUMAN272 100% 0.23 PF00069 C2_S1363 - (61)20 3 / 99 / 127 75
28FAK2_HUMAN414 100% 0.31 PF00018 C3_S1480 - (57)20 123 / 189 / 97 111
29TNIK_HUMAN172 100% 0.12 PF00069 C2_S1243 - (24)20 5 / 96 / 59 38
30TBK1_HUMAN134 100% 0.45 PF00069 C4_S1160 - (29)20 1 / 65 / 52 21
31KC1G3_HUMAN83 100% 0.34 PF00069 C1_S197 - (14)20 - / 28 / 50 33
32TSSK6_HUMAN138 38% 0.44 PF00069 C1_S1203 - (17)20 1 / 39 / 84 69
33PLK4_HUMAN285 100% 0.12 PF00069 C2_S1364 - (63)20 9 / 125 / 136 58
34TEC_HUMAN515 67% 0.28 PF00018 C2_S1583 - (31)20 183 / 231 / 95 211
35BTK_HUMAN502 100% 0.36 PF00018 C3_S1546 - (31)20 181 / 209 / 106 213
36TAOK1_HUMAN222 89% 0.18 PF00069 C2_S1291 - (47)20 5 / 76 / 129 49
37LMTK2_HUMAN92 34% 0.08 PF00018 C1_S1115 - (8)20 - / 38 / 34 37
38M3K4_HUMAN83 40% 0.10 PF00069 C3_S1121 - (12)20 - / 20 / 37 9
39MOK_HUMAN231 35% 0.25 PF00069 C1_S1275 - (14)20 1 / 93 / 107 56
40PAK4_HUMAN64 100% 0.28 PF00069 C3_S161 - (6)20 - / 24 / 22 14
41EPHA3_HUMAN462 99% 0.18 PF00018 C1_S1486 - (45)20 132 / 181 / 133 147
42CD11B_HUMAN477 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 118 / 337 215
43PIM1_HUMAN172 100% 0.37 PF00069 C3_S1194 - (11)20 1 / 92 / 77 139
44ST17B_HUMAN190 100% 0.41 PF00069 C1_S1241 - (46)20 4 / 80 / 82 64
45TGFR2_HUMAN97 98% 0.26 PF08515 C1_S1140 - (7)20 5 / 68 / 20 38
46BRAF_HUMAN176 100% 0.22 PF02196 C3_S1209 - (6)20 91 / 51 / 15 67
47OBSCN_HUMAN78 39% 0.02 PF00069 C2_S180 - (17)20 - / 9 / 49 6
48GRK4_HUMAN252 100% 0.45 PF00069 C1_S1346 - (74)20 5 / 122 / 86 66
49CLK3_HUMAN107 100% 0.26 PF00069 C1_S1142 - (8)20 1 / 70 / 30 30
50JAK1_HUMAN427 99% 0.22 PF07714 C2_S1513 - (39)20 59 / 279 / 83 137

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