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]
1KAPCA_HUMAN272 100% 0.87 PF00069 C1_S1332 - (73)20 21 / 128 / 103 94
2KAPCB_HUMAN380 93% 0.82 PF00069 C1_S1441 - (96)19 43 / 188 / 138 177
3KAPCG_HUMAN300 84% 0.82 PF00069 C1_S1364 - (87)20 24 / 131 / 92 94
4CDK2_HUMAN517 100% 0.81 PF00069 C1_S1576 - (47)20 11 / 281 / 215 331
5MK01_HUMAN459 100% 0.78 PF00069 C1_S1541 - (45)20 44 / 200 / 202 299
6MK14_HUMAN453 100% 0.78 PF00069 C1_S1541 - (40)20 110 / 210 / 110 307
7CSK22_HUMAN200 100% 0.73 PF00069 C1_S1238 - (46)20 6 / 89 / 84 25
8SRC_HUMAN320 100% 0.72 PF00018 C2_S1353 - (19)20 124 / 119 / 57 132
9GSK3B_HUMAN466 100% 0.72 PF00069 C1_S1515 - (38)20 5 / 145 / 303 240
10CDK6_HUMAN512 100% 0.72 PF00069 C1_S1545 - (41)20 8 / 256 / 233 324
11YES_HUMAN454 90% 0.70 PF00018 C2_S1531 - (26)20 147 / 199 / 83 178
12MK03_HUMAN448 100% 0.69 PF00069 C1_S1546 - (45)20 45 / 196 / 197 282
13HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
14FYN_HUMAN452 85% 0.67 PF00018 C4_S1522 - (22)20 149 / 191 / 91 182
15CSK21_HUMAN238 100% 0.65 PF00069 C1_S1329 - (52)18 16 / 93 / 100 78
16CSK23_HUMAN236 99% 0.65 PF00069 C1_S1320 - (53)20 16 / 93 / 99 74
17GSK3A_HUMAN498 89% 0.59 PF00069 C2_S1550 - (36)20 5 / 152 / 332 245
18CSK_HUMAN513 100% 0.59 PF00018 C2_S1608 - (32)20 133 / 220 / 145 200
19PDK3_HUMAN50 100% 0.57 PF02518 C10_S148 - (24)20 2 / 16 / 23 18
20CDK3_HUMAN518 78% 0.57 PF00069 C1_S1573 - (46)20 9 / 281 / 217 330
21STK16_HUMAN20 99% 0.57 PF00069 C1_S123 - (1)11 - / 7 / 3 3
22LCK_HUMAN484 100% 0.56 PF00018 C2_S1570 - (32)20 170 / 203 / 105 214
23KC1E_HUMAN98 100% 0.56 PF00069 C1_S1107 - (14)18 5 / 48 / 30 36
24ZAP70_HUMAN360 100% 0.55 PF00018 C2_S1420 - (63)20 77 / 182 / 94 136
25PHKG1_HUMAN241 95% 0.55 PF00069 C1_S1293 - (51)19 13 / 85 / 118 94
26MK12_HUMAN452 100% 0.55 PF00069 C1_S1526 - (39)20 87 / 204 / 141 141
27KC1D_HUMAN99 100% 0.55 PF00069 C1_S1108 - (14)19 5 / 49 / 30 38
28VRK1_HUMAN51 100% 0.54 PF00069 C3_S140 - (1)20 - / 31 / 9 15
29GRK6_HUMAN237 100% 0.53 PF00069 C1_S1381 - (76)20 6 / 122 / 98 66
30NEK7_HUMAN403 100% 0.53 PF00069 C1_S1455 - (38)20 1 / 48 / 306 225
31PDK2_HUMAN58 100% 0.53 PF02518 C9_S160 - (36)20 2 / 21 / 30 19
32FGR_HUMAN452 80% 0.53 PF00018 C1_S1528 - (22)20 147 / 205 / 80 184
33TOPK_HUMAN20 100% 0.53 PF00069 C1_S121 - (5)5 - / - / 3 0
34RK_HUMAN306 84% 0.52 PF00069 C2_S1473 - (109)20 5 / 112 / 159 76
35CDK5_HUMAN521 100% 0.52 PF00069 C1_S1569 - (44)20 9 / 280 / 215 324
36MK13_HUMAN444 100% 0.52 PF00069 C1_S1538 - (39)20 84 / 205 / 138 307
37PDK4_HUMAN54 100% 0.51 PF02518 C8_S157 - (33)20 2 / 22 / 26 18
38CDK1_HUMAN524 100% 0.51 PF00069 C1_S1584 - (47)20 11 / 283 / 217 333
39ARBK1_HUMAN152 100% 0.49 PF00615 C2_S1206 - (45)20 4 / 63 / 70 45
40PDK1_HUMAN59 100% 0.49 PF02518 C7_S156 - (37)20 2 / 21 / 30 14
41AURKC_HUMAN408 98% 0.49 PF00069 C1_S1533 - (108)20 27 / 209 / 153 195
42MK11_HUMAN449 100% 0.48 PF00069 C1_S1574 - (42)20 108 / 213 / 112 302
43ARBK2_HUMAN145 85% 0.48 PF00615 C1_S1250 - (47)20 5 / 58 / 68 41
44KC1A_HUMAN98 100% 0.48 PF00069 C1_S1104 - (14)18 5 / 51 / 24 36
45PK3CA_HUMAN186 100% 0.48 PF00613 C9_S1185 - (2)7 18 / 115 / 14 128
46LYN_HUMAN485 100% 0.48 PF00018 C3_S1574 - (30)20 180 / 198 / 102 188
47MP2K1_HUMAN164 100% 0.48 PF00069 C2_S1240 - (69)20 10 / 66 / 79 34
48MATK_HUMAN515 59% 0.47 PF00018 C2_S1599 - (62)20 109 / 188 / 207 156
49CDK20_HUMAN509 46% 0.47 PF00069 C1_S1569 - (46)20 5 / 249 / 242 315
50MP2K2_HUMAN114 100% 0.47 PF00069 C1_S1178 - (66)20 8 / 65 / 39 17

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