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]
1CDK1_HUMAN524 100% 0.51 PF00069 C1_S1584 - (47)20 11 / 283 / 217 333
2CDK5_HUMAN521 100% 0.52 PF00069 C1_S1569 - (44)20 9 / 280 / 215 324
3CDK3_HUMAN518 78% 0.57 PF00069 C1_S1573 - (46)20 9 / 281 / 217 330
4CDK2_HUMAN517 100% 0.81 PF00069 C1_S1576 - (47)20 11 / 281 / 215 331
5CDK9_HUMAN515 100% 0.45 PF00069 C1_S1569 - (42)20 8 / 259 / 226 297
6MATK_HUMAN515 59% 0.47 PF00018 C2_S1599 - (62)20 109 / 188 / 207 156
7TEC_HUMAN515 67% 0.28 PF00018 C2_S1583 - (31)20 183 / 231 / 95 211
8CDK7_HUMAN514 100% 0.44 PF00069 C1_S1566 - (45)20 5 / 238 / 260 320
9CDKL5_HUMAN513 99% 0.14 PF00069 C1_S1576 - (48)20 3 / 222 / 276 141
10CDK17_HUMAN513 81% 0.33 PF00069 C1_S1569 - (47)20 8 / 245 / 249 312
11CSK_HUMAN513 100% 0.59 PF00018 C2_S1608 - (32)20 133 / 220 / 145 200
12BMX_HUMAN513 98% 0.26 PF00018 C1_S1586 - (32)20 167 / 234 / 103 198
13TXK_HUMAN513 66% 0.27 PF00018 C1_S1572 - (31)20 160 / 225 / 124 219
14CDK6_HUMAN512 100% 0.72 PF00069 C1_S1545 - (41)20 8 / 256 / 233 324
15CDK12_HUMAN510 100% 0.12 PF00069 C3_S1549 - (45)20 7 / 262 / 228 172
16CDK16_HUMAN510 99% 0.30 PF00069 C1_S1567 - (47)20 8 / 245 / 250 318
17CDK18_HUMAN509 78% 0.32 PF00069 C1_S1567 - (47)20 8 / 243 / 252 315
18CDK10_HUMAN509 46% 0.40 PF00069 C1_S1555 - (46)20 3 / 235 / 267 303
19CDKL3_HUMAN509 99% 0.28 PF00069 C3_S1562 - (38)20 3 / 224 / 269 190
20CDKL1_HUMAN509 99% 0.42 PF00069 C1_S1569 - (43)20 7 / 235 / 259 310
21CDK20_HUMAN509 46% 0.47 PF00069 C1_S1569 - (46)20 5 / 249 / 242 315
22CDK13_HUMAN509 100% 0.12 PF00069 C4_S1549 - (47)20 9 / 264 / 223 164
23CDK14_HUMAN508 61% 0.34 PF00069 C1_S1557 - (46)20 6 / 241 / 252 311
24BLK_HUMAN508 75% 0.43 PF00018 C3_S1597 - (31)20 179 / 214 / 109 209
25CDK4_HUMAN508 100% 0.45 PF00069 C1_S1548 - (40)20 8 / 250 / 232 319
26CDK15_HUMAN508 56% 0.35 PF00069 C1_S1559 - (43)20 6 / 239 / 253 304
27MET_HUMAN507 100% 0.13 PF00018 C4_S1551 - (41)289 121 / 96 / 71 116
28ABL1_HUMAN507 100% 0.32 PF00018 C4_S1596 - (30)20 163 / 224 / 116 131
29CDKL4_HUMAN507 71% 0.42 PF00069 C1_S1562 - (36)19 3 / 192 / 302 307
30CDK19_HUMAN504 93% 0.39 PF00069 C3_S1557 - (39)20 8 / 228 / 256 281
31ABL2_HUMAN504 100% 0.33 PF00018 C5_S1582 - (32)20 157 / 225 / 120 130
32CDK8_HUMAN503 100% 0.43 PF00069 C2_S1565 - (39)20 8 / 226 / 259 278
33BTK_HUMAN502 100% 0.36 PF00018 C3_S1546 - (31)20 181 / 209 / 106 213
34HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
35PTK6_HUMAN499 99% 0.32 PF00018 C4_S1568 - (65)20 138 / 217 / 134 171
36GSK3A_HUMAN498 89% 0.59 PF00069 C2_S1550 - (36)20 5 / 152 / 332 245
37DDR2_HUMAN494 100% 0.17 PF00018 C1_S1548 - (80)20 140 / 204 / 133 108
38CDKL2_HUMAN492 99% 0.33 PF00069 C3_S1554 - (42)20 3 / 224 / 254 256
39ITK_HUMAN492 100% 0.29 PF00018 C1_S1573 - (37)20 84 / 219 / 176 205
40DDR1_HUMAN491 100% 0.20 PF00018 C1_S1594 - (75)20 151 / 207 / 128 107
41FLT3_HUMAN490 100% 0.16 PF00018 C3_S1577 - (54)20 45 / 139 / 275 93
42KIT_HUMAN490 99% 0.16 PF00018 C4_S1605 - (61)20 97 / 170 / 201 60
43NEK6_HUMAN490 87% 0.42 PF00069 C1_S1538 - (38)20 1 / 56 / 380 260
44EPHB4_HUMAN489 100% 0.18 PF00018 C2_S1519 - (45)20 139 / 199 / 138 155
45FER_HUMAN486 67% 0.27 PF00018 C2_S1564 - (40)20 129 / 208 / 138 140
46LYN_HUMAN485 100% 0.48 PF00018 C3_S1574 - (30)20 180 / 198 / 102 188
47EPHA1_HUMAN485 62% 0.18 PF00018 C4_S1532 - (44)20 134 / 191 / 149 158
48LCK_HUMAN484 100% 0.56 PF00018 C2_S1570 - (32)20 170 / 203 / 105 214
49EPHA2_HUMAN479 100% 0.18 PF00018 C5_S1528 - (45)20 145 / 191 / 136 164
50MUSK_HUMAN479 97% 0.18 PF00018 C6_S1593 - (74)20 74 / 186 / 205 117

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