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]
1INSRR_HUMAN302 78% 0.14 PF00018 C3_S1348 - (40)320 89 / 148 / 65 166
2MET_HUMAN507 100% 0.13 PF00018 C4_S1551 - (41)289 121 / 96 / 71 116
3ERBB3_HUMAN325 100% 0.10 PF00018 C5_S1342 - (50)190 73 / 177 / 66 152
4ERBB4_HUMAN396 100% 0.13 PF00018 C5_S1435 - (61)183 113 / 194 / 84 131
5EGFR_HUMAN383 100% 0.14 PF01030 C3_S1425 - (57)168 72 / 223 / 105 229
6ERBB2_HUMAN209 99% 0.14 PF01030 C5_S1224 - (60)147 27 / 113 / 66 100
7AMHR2_HUMAN33 42% 0.27 PF08515 C1_S144 - (0)99 - / 9 / 21 24
8UHMK1_HUMAN30 37% 0.18 PF00069 C1_S137 - (0)58 - / 1 / 32 24
9ANKK1_HUMAN100 45% 0.16 PF07714 C5_S1101 - (7)58 8 / 46 / 43 75
10BMP2K_HUMAN37 99% 0.14 PF00069 C1_S154 - (6)51 3 / 14 / 14 22
11VRK1_HUMAN51 100% 0.54 PF00069 C3_S140 - (1)44 1 / 34 / 9 16
12ERN2_HUMAN61 66% 0.21 PF00069 C3_S193 - (7)24 4 / 21 / 24 20
13MYLK3_HUMAN343 73% 0.16 PF00069 C2_S1426 - (41)20 4 / 172 / 132 64
14EPHA8_HUMAN452 100% 0.16 PF00018 C5_S1496 - (35)20 82 / 215 / 147 114
15CD11B_HUMAN477 45% 0.20 PF00069 C1_S1527 - (43)20 1 / 118 / 337 215
16TGFR2_HUMAN97 98% 0.26 PF08515 C1_S1140 - (7)20 5 / 68 / 20 38
17KS6A3_HUMAN169 100% 0.25 PF00069 C3_S1210 - (19)20 4 / 72 / 61 68
18PMYT1_HUMAN56 100% 0.33 PF00069 C2_S178 - (7)20 11 / 26 / 10 21
19CDK14_HUMAN508 61% 0.34 PF00069 C1_S1557 - (46)20 6 / 241 / 252 311
20MRCKB_HUMAN343 100% 0.13 PF00069 C5_S1455 - (96)20 7 / 136 / 155 71
21NEK6_HUMAN490 87% 0.42 PF00069 C1_S1538 - (38)20 1 / 56 / 380 260
22CDKL2_HUMAN492 99% 0.33 PF00069 C3_S1554 - (42)20 3 / 224 / 254 256
23HIPK4_HUMAN281 49% 0.25 PF00069 C3_S1326 - (6)20 - / 105 / 152 67
24MKNK2_HUMAN198 100% 0.33 PF00069 C2_S1262 - (42)20 1 / 56 / 112 65
25GRK4_HUMAN252 100% 0.45 PF00069 C1_S1346 - (74)20 5 / 122 / 86 66
26NEK4_HUMAN86 51% 0.18 PF00069 C2_S1142 - (14)20 1 / 36 / 34 21
27CDK15_HUMAN508 56% 0.35 PF00069 C1_S1559 - (43)20 6 / 239 / 253 304
28ARAF_HUMAN188 77% 0.27 PF02196 C3_S1222 - (10)20 85 / 67 / 20 69
29TYK2_HUMAN422 100% 0.24 PF07714 C1_S1480 - (41)20 48 / 259 / 111 132
30ARBK2_HUMAN145 85% 0.48 PF00615 C1_S1250 - (47)20 5 / 58 / 68 41
31KS6A1_HUMAN386 100% 0.22 PF00069 C3_S1626 - (98)20 13 / 196 / 163 132
32CDK8_HUMAN503 100% 0.43 PF00069 C2_S1565 - (39)20 8 / 226 / 259 278
33M3K13_HUMAN190 88% 0.15 PF07714 C2_S1245 - (32)20 26 / 86 / 66 27
34PRKY_HUMAN379 54% 0.43 PF00069 C2_S1433 - (88)20 19 / 144 / 149 152
35TAOK1_HUMAN222 89% 0.18 PF00069 C2_S1291 - (47)20 5 / 76 / 129 49
36WNK1_HUMAN143 100% 0.08 PF02196 C2_S1179 - (14)20 23 / 90 / 22 11
37PIM2_HUMAN160 100% 0.43 PF00069 C2_S1180 - (9)20 1 / 85 / 72 133
38EPHAA_HUMAN274 58% 0.17 PF00018 C2_S1306 - (30)20 50 / 112 / 104 100
39NEK8_HUMAN126 48% 0.20 PF00069 C1_S1135 - (15)20 - / 45 / 53 12
40EPHB1_HUMAN470 100% 0.17 PF00018 C2_S1517 - (42)20 146 / 193 / 123 156
41KS6A4_HUMAN385 73% 0.21 PF00069 C4_S1506 - (97)20 26 / 203 / 138 149
42PGFRA_HUMAN449 99% 0.18 PF00018 C7_S1539 - (48)20 8 / 48 / 355 16
43DCLK3_HUMAN265 56% 0.21 PF00069 C1_S1328 - (80)20 3 / 88 / 150 73
44ROR2_HUMAN299 100% 0.17 PF07714 C2_S1348 - (53)20 12 / 111 / 159 96
45IRAK3_HUMAN47 37% 0.19 PF07714 C4_S148 - (1)20 2 / 35 / 10 12
46MERTK_HUMAN443 100% 0.17 PF00018 C3_S1577 - (63)20 117 / 198 / 117 117
47ALK_HUMAN391 100% 0.10 PF00018 C2_S1459 - (57)20 98 / 176 / 99 94
48YES_HUMAN454 90% 0.70 PF00018 C2_S1531 - (26)20 147 / 199 / 83 178
49EPHA5_HUMAN468 88% 0.17 PF00018 C2_S1496 - (45)20 135 / 189 / 129 154
50KCC4_HUMAN341 100% 0.29 PF00069 C3_S1386 - (69)20 11 / 143 / 171 123

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