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]
1MTOR_HUMAN25 100% 0.37 PF00454 C2_S111 - (0)6 1 / 10 / - 3
2EGFR_HUMAN383 100% 0.14 PF01030 C3_S1425 - (57)168 72 / 223 / 105 229
3MET_HUMAN507 100% 0.13 PF00018 C4_S1551 - (41)289 121 / 96 / 71 116
4MP2K1_HUMAN164 100% 0.48 PF00069 C2_S1240 - (69)20 10 / 66 / 79 34
5EPHB1_HUMAN470 100% 0.17 PF00018 C2_S1517 - (42)20 146 / 193 / 123 156
6KSR2_HUMAN138 100% 0.13 PF02196 C5_S1145 - (6)20 10 / 73 / 48 45
7KC1G3_HUMAN83 100% 0.34 PF00069 C1_S197 - (14)20 - / 28 / 50 33
8RIPK2_HUMAN168 100% 0.29 PF07714 C3_S1170 - (12)20 10 / 62 / 84 27
9EPHA8_HUMAN452 100% 0.16 PF00018 C5_S1496 - (35)20 82 / 215 / 147 114
10CDK1_HUMAN524 100% 0.51 PF00069 C1_S1584 - (47)20 11 / 283 / 217 333
11PLK1_HUMAN296 100% 0.27 PF00069 C1_S10 - (0)? 17 / 109 / 160 181
12MARK3_HUMAN423 100% 0.23 PF00069 C2_S1461 - (45)19 11 / 157 / 241 140
13KPCT_HUMAN375 100% 0.28 PF00069 C3_S1498 - (102)20 8 / 148 / 138 112
14MARK4_HUMAN415 100% 0.28 PF00069 C3_S1494 - (40)20 11 / 151 / 224 161
15KCC2A_HUMAN127 100% 0.47 PF00069 C3_S1147 - (42)19 2 / 47 / 56 31
16ZAP70_HUMAN360 100% 0.55 PF00018 C2_S1420 - (63)20 77 / 182 / 94 136
17RET_HUMAN14 100% 0.24 PF17813 C4_S15 - (0)1 - / - / - 0
18EPHA7_HUMAN463 100% 0.18 PF00018 C3_S1492 - (38)20 72 / 154 / 225 160
19MK13_HUMAN444 100% 0.52 PF00069 C1_S1538 - (39)20 84 / 205 / 138 307
20KCC2D_HUMAN282 100% 0.42 PF00069 C2_S1336 - (93)20 7 / 91 / 161 85
21NEK1_HUMAN66 100% 0.13 PF00069 C2_S191 - (13)19 - / 11 / 27 3
22ERBB4_HUMAN396 100% 0.13 PF00018 C5_S1435 - (61)183 113 / 194 / 84 131
23HCK_HUMAN499 100% 0.68 PF00018 C3_S1597 - (35)20 185 / 214 / 94 217
24VRK1_HUMAN51 100% 0.54 PF00069 C3_S140 - (1)44 1 / 34 / 9 16
25ALPK1_HUMAN18 100% 0.19 PF02816 C3_S13 - (3)? - / - / - 0
26FGFR4_HUMAN289 100% 0.23 PF07714 C4_S1352 - (52)20 66 / 130 / 83 120
27KCC1G_HUMAN318 100% 0.33 PF00069 C3_S1382 - (60)19 17 / 145 / 140 151
28EPHA2_HUMAN479 100% 0.18 PF00018 C5_S1528 - (45)20 145 / 191 / 136 164
29FA20C_HUMAN23 100% 0.29 PF06702 C3_S16 - (0)6 - / - / 10 2
30CDK2_HUMAN517 100% 0.81 PF00069 C1_S1576 - (47)20 11 / 281 / 215 331
31KS6A6_HUMAN412 100% 0.21 PF00069 C3_S1595 - (101)20 14 / 211 / 169 132
32STK11_HUMAN204 100% 0.33 PF00069 C1_S1231 - (11)20 8 / 118 / 61 78
33CLK1_HUMAN95 100% 0.38 PF00069 C1_S1115 - (8)20 7 / 64 / 19 35
34PAK7_HUMAN149 100% 0.24 PF00069 C2_S1208 - (27)20 7 / 68 / 56 40
35ST17B_HUMAN190 100% 0.41 PF00069 C1_S1241 - (46)20 4 / 80 / 82 64
36CHK2_HUMAN373 100% 0.40 PF00069 C1_S1447 - (77)20 11 / 149 / 195 150
37ULK4_HUMAN18 100% 0.13 PF00069 C2_S120 - (0)4 - / 3 / - 2
38GRK4_HUMAN252 100% 0.45 PF00069 C1_S1346 - (74)20 5 / 122 / 86 66
39ROR2_HUMAN299 100% 0.17 PF07714 C2_S1348 - (53)20 12 / 111 / 159 96
40PDK2_HUMAN58 100% 0.53 PF02518 C9_S160 - (36)20 2 / 21 / 30 19
41NTRK2_HUMAN443 100% 0.20 PF00018 C4_S1550 - (61)20 82 / 231 / 125 155
42MELK_HUMAN374 100% 0.29 PF00069 C3_S1410 - (33)20 15 / 135 / 193 135
43PIM2_HUMAN160 100% 0.43 PF00069 C2_S1180 - (9)20 1 / 85 / 72 133
44MP2K4_HUMAN110 100% 0.38 PF00069 C1_S1174 - (61)20 1 / 43 / 56 25
45DAPK1_HUMAN225 100% 0.11 PF00069 C5_S1246 - (50)20 2 / 80 / 121 40
46AAK1_HUMAN23 100% 0.18 PF00069 C4_S126 - (0)18 3 / 18 / 1 9
47CDC7_HUMAN16 100% 0.17 PF00069 C3_S14 - (0)? - / 3 / 12 15
48DAPK3_HUMAN184 100% 0.34 PF00069 C3_S1220 - (36)20 4 / 74 / 86 63
49TOPK_HUMAN20 100% 0.53 PF00069 C1_S121 - (5)5 - / - / 3 0
50IRAK1_HUMAN276 100% 0.22 PF07714 C2_S1296 - (24)20 14 / 176 / 82 32

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