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]
1ACVR1_HUMAN93 100% 0.28 PF08515 C1_S1128 - (3)20 5 / 74 / 11 42
2HASP_HUMAN21 100% 0.23 -C3_S121 - (14)13 - / 10 / 9 17
3AAPK2_HUMAN448 100% 0.42 PF00069 C3_S1558 - (95)20 28 / 174 / 183 137
4PDK1_HUMAN59 100% 0.49 PF02518 C7_S156 - (37)20 2 / 21 / 30 14
5ULK2_HUMAN191 100% 0.14 PF00069 C3_S1245 - (28)19 5 / 87 / 82 29
6EPHB1_HUMAN470 100% 0.17 PF00018 C2_S1517 - (42)20 146 / 193 / 123 156
7PIM2_HUMAN160 100% 0.43 PF00069 C2_S1180 - (9)20 1 / 85 / 72 133
8MK12_HUMAN452 100% 0.55 PF00069 C1_S1526 - (39)20 87 / 204 / 141 141
9TTK_HUMAN69 100% 0.18 PF00069 C1_S1132 - (1)20 16 / 30 / 15 33
10CDK2_HUMAN517 100% 0.81 PF00069 C1_S1576 - (47)20 11 / 281 / 215 331
11M3K5_HUMAN226 100% 0.09 PF00069 C4_S1380 - (24)17 12 / 88 / 85 30
12BUB1B_HUMAN10 100% 0.14 PF08311 C11_S12 - (0)1 - / - / 2 1
13E2AK3_HUMAN151 100% 0.07 PF00069 C3_S1259 - (21)17 - / 85 / 149 85
14STK24_HUMAN203 100% 0.34 PF00069 C2_S1271 - (68)20 12 / 102 / 78 67
15WNK1_HUMAN143 100% 0.08 PF02196 C2_S1179 - (14)20 23 / 90 / 22 11
16PDPK1_HUMAN364 100% 0.28 PF00069 C3_S1446 - (108)20 17 / 155 / 173 125
17KCC1D_HUMAN354 100% 0.42 PF00069 C1_S1414 - (51)19 19 / 158 / 158 198
18ABL1_HUMAN507 100% 0.32 PF00018 C4_S1596 - (30)20 163 / 224 / 116 131
19EPHA2_HUMAN479 100% 0.18 PF00018 C5_S1528 - (45)20 145 / 191 / 136 164
20CSKP_HUMAN50 100% 0.20 PF00069 C4_S147 - (18)20 - / 14 / 24 10
21CDC7_HUMAN16 100% 0.17 PF00069 C3_S14 - (0)? - / 3 / 12 15
22CDK1_HUMAN524 100% 0.51 PF00069 C1_S1584 - (47)20 11 / 283 / 217 333
23MARK3_HUMAN423 100% 0.23 PF00069 C2_S1461 - (45)19 11 / 157 / 241 140
24ALPK1_HUMAN18 100% 0.19 PF02816 C3_S13 - (3)? - / - / - 0
25KS6A6_HUMAN412 100% 0.21 PF00069 C3_S1595 - (101)20 14 / 211 / 169 132
26MK03_HUMAN448 100% 0.69 PF00069 C1_S1546 - (45)20 45 / 196 / 197 282
27WNK3_HUMAN102 100% 0.10 PF02196 C4_S1132 - (12)20 25 / 55 / 20 10
28PK3CD_HUMAN176 100% 0.47 PF00613 C9_S1184 - (2)10 17 / 120 / 15 127
29VRK2_HUMAN75 100% 0.36 PF00069 C2_S179 - (5)20 - / 52 / 15 24
30MP2K1_HUMAN164 100% 0.48 PF00069 C2_S1240 - (69)20 10 / 66 / 79 34
31MKNK2_HUMAN198 100% 0.33 PF00069 C2_S1262 - (42)20 1 / 56 / 112 65
32FA20C_HUMAN23 100% 0.29 PF06702 C3_S16 - (0)6 - / - / 10 2
33FES_HUMAN418 100% 0.26 PF00018 C3_S1500 - (31)20 86 / 194 / 126 96
34GWL_HUMAN189 100% 0.08 PF00069 C2_S1275 - (70)19 1 / 69 / 106 32
35FAK2_HUMAN414 100% 0.31 PF00018 C3_S1480 - (57)20 123 / 189 / 97 111
36HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
37ABL2_HUMAN504 100% 0.33 PF00018 C5_S1582 - (32)20 157 / 225 / 120 130
38MK08_HUMAN450 100% 0.39 PF00069 C1_S1522 - (31)20 85 / 221 / 127 278
39KPCT_HUMAN375 100% 0.28 PF00069 C3_S1498 - (102)20 8 / 148 / 138 112
40VGFR1_HUMAN415 100% 0.12 PF07714 C6_S1497 - (62)20 57 / 134 / 197 73
41CLK1_HUMAN95 100% 0.38 PF00069 C1_S1115 - (8)20 7 / 64 / 19 35
42AKT1_HUMAN444 100% 0.45 PF00069 C2_S1605 - (107)20 45 / 241 / 138 202
43TTBK1_HUMAN73 100% 0.13 PF00069 C3_S176 - (8)20 4 / 43 / 15 12
44PRP4B_HUMAN98 100% 0.15 PF00069 C4_S1131 - (12)20 2 / 25 / 54 17
45PAK7_HUMAN149 100% 0.24 PF00069 C2_S1208 - (27)20 7 / 68 / 56 40
46GSK3B_HUMAN466 100% 0.72 PF00069 C1_S1515 - (38)20 5 / 145 / 303 240
47PDPK2_HUMAN373 100% 0.39 PF00069 C3_S1456 - (111)20 17 / 163 / 174 151
48KS6A3_HUMAN169 100% 0.25 PF00069 C3_S1210 - (19)20 4 / 72 / 61 68
49KKCC2_HUMAN318 100% 0.26 PF00069 C1_S1375 - (93)20 14 / 121 / 146 77
50LYN_HUMAN485 100% 0.48 PF00018 C3_S1574 - (30)20 180 / 198 / 102 188

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