Atome 2 : Comparative Modeling, Annotation & Complexes Prediction of Study :
PK_HUMAN_I30_2020M9 (2020 - 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]
1CDK1_HUMAN524 100% 0.51 PF00069 C1_S1584 - (47)20 11 / 283 / 217 333
2CDK2_HUMAN517 100% 0.81 PF00069 C1_S1576 - (47)20 11 / 281 / 215 331
3CDK3_HUMAN518 78% 0.57 PF00069 C1_S1573 - (46)20 9 / 281 / 217 330
4CDK5_HUMAN521 100% 0.52 PF00069 C1_S1569 - (44)20 9 / 280 / 215 324
5CDK6_HUMAN512 100% 0.72 PF00069 C1_S1545 - (41)20 8 / 256 / 233 324
6CDK7_HUMAN514 100% 0.44 PF00069 C1_S1566 - (45)20 5 / 238 / 260 320
7CDK4_HUMAN508 100% 0.45 PF00069 C1_S1548 - (40)20 8 / 250 / 232 319
8CDK16_HUMAN510 99% 0.30 PF00069 C1_S1567 - (47)20 8 / 245 / 250 318
9CDK20_HUMAN509 46% 0.47 PF00069 C1_S1569 - (46)20 5 / 249 / 242 315
10CDK18_HUMAN509 78% 0.32 PF00069 C1_S1567 - (47)20 8 / 243 / 252 315
11CDK17_HUMAN513 81% 0.33 PF00069 C1_S1569 - (47)20 8 / 245 / 249 312
12CDK14_HUMAN508 61% 0.34 PF00069 C1_S1557 - (46)20 6 / 241 / 252 311
13CDKL1_HUMAN509 99% 0.42 PF00069 C1_S1569 - (43)20 7 / 235 / 259 310
14MK13_HUMAN444 100% 0.52 PF00069 C1_S1538 - (39)20 84 / 205 / 138 307
15CDKL4_HUMAN507 71% 0.42 PF00069 C1_S1562 - (36)19 3 / 192 / 302 307
16MK14_HUMAN453 100% 0.78 PF00069 C1_S1541 - (40)20 110 / 210 / 110 307
17CDK15_HUMAN508 56% 0.35 PF00069 C1_S1559 - (43)20 6 / 239 / 253 304
18CDK10_HUMAN509 46% 0.40 PF00069 C1_S1555 - (46)20 3 / 235 / 267 303
19MK11_HUMAN449 100% 0.48 PF00069 C1_S1574 - (42)20 108 / 213 / 112 302
20MK01_HUMAN459 100% 0.78 PF00069 C1_S1541 - (45)20 44 / 200 / 202 299
21CDK9_HUMAN515 100% 0.45 PF00069 C1_S1569 - (42)20 8 / 259 / 226 297
22MK03_HUMAN448 100% 0.69 PF00069 C1_S1546 - (45)20 45 / 196 / 197 282
23CDK19_HUMAN504 93% 0.39 PF00069 C3_S1557 - (39)20 8 / 228 / 256 281
24MK08_HUMAN450 100% 0.39 PF00069 C1_S1522 - (31)20 85 / 221 / 127 278
25CDK8_HUMAN503 100% 0.43 PF00069 C2_S1565 - (39)20 8 / 226 / 259 278
26MK09_HUMAN444 98% 0.39 PF00069 C1_S1520 - (31)20 98 / 231 / 105 278
27MK10_HUMAN446 100% 0.41 PF00069 C2_S1545 - (29)20 93 / 227 / 113 276
28NLK_HUMAN429 47% 0.32 PF00069 C1_S1532 - (42)20 44 / 209 / 157 269
29NEK6_HUMAN490 87% 0.42 PF00069 C1_S1538 - (38)20 1 / 56 / 380 260
30CDKL2_HUMAN492 99% 0.33 PF00069 C3_S1554 - (42)20 3 / 224 / 254 256
31MK07_HUMAN448 100% 0.26 PF00069 C1_S1544 - (48)20 41 / 197 / 184 248
32GSK3A_HUMAN498 89% 0.59 PF00069 C2_S1550 - (36)20 5 / 152 / 332 245
33GSK3B_HUMAN466 100% 0.72 PF00069 C1_S1515 - (38)20 5 / 145 / 303 240
34EGFR_HUMAN383 100% 0.14 PF01030 C3_S1425 - (57)168 72 / 223 / 105 229
35NEK7_HUMAN403 100% 0.53 PF00069 C1_S1455 - (38)20 1 / 48 / 306 225
36TXK_HUMAN513 66% 0.27 PF00018 C1_S1572 - (31)20 160 / 225 / 124 219
37HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
38CD11B_HUMAN477 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 118 / 337 215
39LCK_HUMAN484 100% 0.56 PF00018 C2_S1570 - (32)20 170 / 203 / 105 214
40BTK_HUMAN502 100% 0.36 PF00018 C3_S1546 - (31)20 181 / 209 / 106 213
41TEC_HUMAN515 67% 0.28 PF00018 C2_S1583 - (31)20 183 / 231 / 95 211
42MK15_HUMAN391 52% 0.32 PF00069 C3_S1468 - (40)20 24 / 136 / 201 210
43CD11A_HUMAN476 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 117 / 339 209
44BLK_HUMAN508 75% 0.43 PF00018 C3_S1597 - (31)20 179 / 214 / 109 209
45ITK_HUMAN492 100% 0.29 PF00018 C1_S1573 - (37)20 84 / 219 / 176 205
46AKT1_HUMAN444 100% 0.45 PF00069 C2_S1605 - (107)20 45 / 241 / 138 202
47CHK1_HUMAN411 100% 0.31 PF00069 C3_S1477 - (64)20 14 / 197 / 177 201
48CSK_HUMAN513 100% 0.59 PF00018 C2_S1608 - (32)20 133 / 220 / 145 200
49BMX_HUMAN513 98% 0.26 PF00018 C1_S1586 - (32)20 167 / 234 / 103 198
50KCC1D_HUMAN354 100% 0.42 PF00069 C1_S1414 - (51)19 19 / 158 / 158 198

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